Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002913462 | C2RhTa2 | data_[Ta4Rh2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3104]
_cell_length_b [4.3104]
_cell_length_c [7.7312]
_ce... |
agm002065398 | Ga2LaSr | data_[Sr2La2Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3895]
_cell_length_b [4.4122]
_cell_length_c [9.0427]
_... |
agm002835001 | Au2HSb | data_[Sb4H4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.0777]
_cell_length_b [5.0777]
_cell_length_c [11.6217]
_ce... |
agm004491192 | Ge3H2Mn5Zr2 | data_[Zr4Mn10Ge6H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7686]
_cell_length_b [3.... |
agm003422642 | Cs3Te2Tl | data_[Cs12Tl4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0796]
_cell_length_b [6.4988]
_cell_length_c [10.4448]
... |
agm001740949 | CFO2Os | data_[Os1C1O2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6258]
_cell_length_b [3.6258]... |
agm2000130846 | NbS2Te2 | data_[Nb4Te8S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2796]
_cell_length_b [13.2498]
_cell_length_c [18.9600]
_ce... |
agm002515675 | AgLiTi3 | data_[Li1Ti3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9880]
_cell_length_b [4.9880]
_cell_length_c [4.9880]
_c... |
oqmd-6064014 | I2K2Na2O | data_[K4Na4I4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8855]
_cell_length_b [4.8855]... |
agm004061309 | Au2CaIr | data_[Ca1Ir1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.1177]
_cell_length_b [4.7189]
_cell_length_c [5.4534]
_ce... |
agm005002038 | Cs2STeTl | data_[Cs4Tl2Te2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1603]
_cell_length_b [5.6... |
agm001157204 | Hg2NpPb | data_[Np1Hg2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2875]
_cell_length_b [3.2875]
_cell_length_c [9.7135]
_... |
agm2000086669 | ClI2La | data_[La1I2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [6.0168]
_cell_length_b [6.0168]
_cell_length_c [18.5910]
_cel... |
agm005408980 | SeZr4 | data_[Zr8Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [6.2491]
_cell_length_b [6.2491]
_cell_length_c [6.2491]
_cell_angle_alpha [90.0000]
_cell_... |
agm004517723 | Ga3Pr2Pt4Sb | data_[Pr2Ga3Sb1Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3934]
_cell_length_b [4.... |
agm001371186 | HoLuOsZn | data_[Ho4Lu4Zn4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8512]
_cell_length_b [6.... |
agm004896638 | LaO8Ti2Zr | data_[La2Zr2Ti4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.1669]
_cell_length_b [5.166... |
agm005872924 | Ir9Mo2Rh | data_[Mo2Ir9Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9514]
_cell_length_b [6.7379]
_cell_length_c [6.9281]
_cell... |
oqmd-2183562 | BeCuLiSn | data_[Li4Be4Cu4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0369]
_cell_length_b [6.... |
agm004252136 | MgSrZr2 | data_[Sr2Mg2Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5957]
_cell_length_b [4.5957]
_cell_length_c [10.1381]
... |
agm001167518 | As5Au12Li3 | data_[Li24As40Au96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [15.1724]
_cell_length_b [15.1724]
_cell_length_c [15.17... |
agm001116553 | Mo2TiV | data_[Ti1V1Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1066]
_cell_length_b [3.1066]
_cell_length_c [6.2884]
_ce... |
agm001656603 | Ba2KNiPb | data_[K1Ba2Ni1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2513]
_cell_length_b [6.2... |
oqmd-7183014 | Cd2ReV | data_[V4Cd8Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cd 1.6900 1.5500 1.0900
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4572]
_cell_length_b [6.4572]
_cell_length_c [6.4572]
_cel... |
agm002235566 | Er2Rh | data_[Er4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4178]
_cell_length_b [3.4178]
_cell_length_c [12.4814]
_cell_angle_alpha [90.0000]
_cel... |
agm002891028 | Pd2SiTi | data_[Ti4Si4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.8540]
_cell_length_b [3.8540]
_cell_length_c [17.3887]
_... |
agm002681746 | Be2HPb | data_[Be8H4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9767]
_cell_length_b [5.9767]
_cell_length_c [5.9767]
_cel... |
agm003751292 | AlBRh4 | data_[Al2B2Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.6261]
_cell_length_b [5.7145]
_cell_length_c [5.4392]
_cell_a... |
agm004587763 | Hf2PaTe6Tl2 | data_[Hf4Pa2Tl4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pa 1.5000 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0855]
_cell_length_b [12... |
agm001588563 | C2GaVW | data_[V1Ga1W1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0066]
_cell_length_b [4.0066]... |
agm005631804 | Ac2NdTl | data_[Ac8Nd4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [24.8762]
_cell_length_b [3.9609]
_cell_length_c [6.2116]
_c... |
agm002080336 | AuHMnPd | data_[Mn3H3Pd3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9561]
_cell_length_b [2.9561... |
agm005559807 | Cs2Ga3Pt2 | data_[Cs4Ga6Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6212]
_cell_length_b [4.2569]
_cell_length_c [8.5076]
_c... |
agm004815338 | Ac4Cl2CoRu | data_[Ac4Co1Ru1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3216]
_cell_length_b [4.2... |
agm004398956 | AlCd2Sb | data_[Al1Cd2Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1950]
_cell_length_b [3.1950]
_cell_length_c [9.0096]
_ce... |
agm005793348 | HoNd2Ni | data_[Nd8Ho4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9742]
_cell_length_b [9.9692]
_cell_length_c [6.3862]
_ce... |
agm003334866 | Rh4Sn3Tb2 | data_[Tb8Sn12Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.0085]
_cell_length_b [16.2426]
_cell_length_c [7.3443]
... |
agm004767178 | CoCs2GeO4 | data_[Cs16Co8Ge8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.2868]
_cell_length_b [12.... |
agm003471031 | Bi2GaPr5 | data_[Pr10Ga2Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.5303]
_cell_length_b [7.5303]
_cell_length_c [8.6302]
_c... |
agm002215271 | GeOsSr | data_[Sr2Ge2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3686]
_cell_length_b [4.3686]
_cell_length_c [7.4268]
_... |
agm004836801 | CI2NPr4 | data_[Pr4C1I2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7105]
_cell_length_b [3.8748]
_... |
agm005076223 | GaO6PmRu | data_[Pm2Ga2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1819]
_cell_length_b [5.1... |
agm002774123 | Br2NaSc | data_[Na3Sc3Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9503]
_cell_length_b [3.9503]
_cell_length_c [26.3855]
_c... |
agm003150057 | AgGaTi | data_[Ti4Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.7678]
_cell_length_b [12.9682]
_cell_length_c [4.1227]
_c... |
agm005890521 | La4MgPr2 | data_[La4Pr2Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [4.8605]
_cell_length_b [4.8605]
_cell_length_c [11.2476]
_... |
agm001092060 | Eu2KPb | data_[K4Eu8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Eu 1.2000 1.8500 1.1985
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3338]
_cell_length_b [8.3338]
_cell_length_c [8.3338]
_cel... |
agm001442137 | AsK2SiY | data_[K2Y1Si1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0879]
_cell_length_b [6.087... |
agm004262183 | CaSc2W | data_[Ca2Sc4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7557]
_cell_length_b [3.0200]
_cell_length_c [6.2680]
_cell... |
agm001092191 | La2SmTm | data_[La8Sm4Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2309]
_cell_length_b [8.2309]
_cell_length_c [8.2309]
_c... |
agm001318539 | PaPdYZn | data_[Y4Pa4Zn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pa 1.5000 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0832]
_cell_length_b [7.08... |
agm003511809 | AcGe7Tc2 | data_[Ac2Tc4Ge14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.8329]
_cell_length_b [10.5486]
_cell_length_c [4.8498]
_... |
agm004563727 | Ac4Bi2CuN2 | data_[Ac8Cu2Bi4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4286]
_cell_length_b [4.09... |
agm003372238 | Ho5La12Tb2 | data_[La24Tb4Ho10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5064]
_cell_length_b [7.6357]
_cell_length_c [10.0612]... |
agm003138352 | NbS2Tl | data_[Nb4Tl4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8634]
_cell_length_b [5.7271]
_cell_length_c [11.3241]
_c... |
agm004814017 | Br2CoNd4Pd | data_[Nd4Co1Pd1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1932]
_cell_length_b [4.1... |
agm001580748 | CuHg2InPt | data_[In1Cu1Hg2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2679]
_cell_length_b [5... |
agm001513796 | Cr2PSrTi | data_[Sr1Ti1Cr2P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4160]
_cell_length_b [4.4... |
agm004934390 | O6OsSnTl2 | data_[Tl8Sn4Os4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1521]
_cell_length_b [8.1... |
agm002706099 | BiCrN2 | data_[Cr4Bi4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7176]
_cell_length_b [5.7176]
_cell_length_c [5.7176]
_cel... |
agm006018536 | GaSc8Se6 | data_[Sc8Ga1Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.1241]
_cell_length_b [10.1241]
_cell_length_c [3.7217]
_c... |
agm001499935 | NiRu2TaW | data_[Ta1Ni1Ru2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6247]
_cell_length_b [4.6... |
agm005494247 | Cl3Te | data_[Te2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8095]
_cell_length_b [6.7778]
_cell_length_c [7.9155]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003764715 | InPmY6 | data_[Pm3Y18In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2885]
_cell_length_b [9.2885]
_cell_length_c [10.1761]
_cel... |
agm001045102 | AsTmZn | data_[Tm6Zn6As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6279]
_cell_length_b [4.6279]
_cell_length_c [23.0692]
_c... |
agm004823022 | NaPbPm2Se4 | data_[Na4Pm8Pb4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pm 1.1300 1.8500 1.1100
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.5401]
_cell_length_b [8.... |
agm003657149 | Cl5Dy4Ni | data_[Dy8Ni2Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9295]
_cell_length_b [3.8525]
_cell_length_c [8.1566]
_... |
agm003726927 | CNZr3 | data_[Zr6C2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6146]
_cell_length_b [3.4301]
_cell_length_c [8.7244]
_cell... |
agm003520457 | In8Pt2Sr | data_[Sr1In8Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.3965]
_cell_length_b [6.3965]
_cell_length_c [8.6593]
_... |
agm2000126131 | Pm2Zr | data_[Pm8Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2313]
_cell_length_b [3.5233]
_cell_length_c [20.4379]
_cell_angle_alpha [90.0000]
_cell... |
agm001339861 | AuBaRbSe | data_[Rb4Ba4Au4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0842]
_cell_length_b [8.... |
agm002417069 | BeCoLa3 | data_[La3Be1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2658]
_cell_length_b [5.2658]
_cell_length_c [5.2658]
_c... |
agm004014905 | BeCl2Re | data_[Be2Re2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Re 1.9000 1.3500 0.7125
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.8553]
_cell_length_b [5.3574]
_cell_length_c [9.6884]
_ce... |
agm001632231 | AlMgOY2 | data_[Y2Mg1Al1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8085]
_cell_length_b [4.808... |
agm004515118 | Pt4RhSi3Sm2 | data_[Sm2Si3Pt4Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1555]
_cell_length_b [4.... |
agm004655155 | Dy3Er6Tb2Zr | data_[Tb4Dy6Er12Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0565]
_cell_length_b [10... |
agm002815403 | ClCuPd2 | data_[Cu4Pd8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.0008]
_cell_length_b [7.0008]
_cell_length_c [5.4622]
_c... |
agm004352933 | BrIn2W | data_[In2W1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0825]
_cell_length_b [5.3100]
_cell_length_c [5.3626]
_cell... |
agm005876526 | ErRh4Zr | data_[Er2Zr2Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0676]
_cell_length_b [3.2902]
_cell_length_c [6.7073]
_c... |
agm001047828 | HfLiTm | data_[Li2Tm2Hf2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Hf 1.3000 1.5500 0.8500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.2389]
_cell_length_b [3.2389]
_cell_length_c [13.6269]
... |
agm004960930 | AgAlI6Rb2 | data_[Rb6Al3Ag3I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.4226]
_cell_length_b [8.4226... |
agm005676700 | Fe2H6Pa | data_[Pa2Fe4H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.3185]
_cell_length_b [6.9449]
_cell_length_c [4.4250]
_cel... |
agm002685746 | HLa2Ti | data_[La8Ti4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2323]
_cell_length_b [7.2323]
_cell_length_c [7.2323]
_cel... |
agm003521382 | LaO8Re2 | data_[La2Re4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8441]
_cell_length_b [5.5647]
_cell_length_c [6.2584]
_ce... |
agm004593184 | AuHf2Ni7Sb2 | data_[Hf4Ni14Sb4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5289]
_cell_length_b [... |
oqmd-5945537 | N2OSbSc | data_[Sc4Sb4N8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5167]
_cell_length_b [8.0276]... |
agm001450382 | CrI2TlZn | data_[Tl1Zn1Cr1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8664]
_cell_length_b [5.8... |
agm004613328 | As2Pb3Pr6Te | data_[Pr12Te2As4Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0813]
_cell_length_b [4... |
agm004237453 | TcTe2W | data_[Tc1Te2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.8736]
_cell_length_b [3.9523]
_cell_length_c [6.8607]
_cell_a... |
agm005661039 | Bi3Ce2Ho | data_[Ce32Ho16Bi48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [9.1008]
_cell_length_b [12.8848]
_cell_length_c [27.3508... |
oqmd-9938046 | Si2TcTm2 | data_[Tm8Si8Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6751]
_cell_length_b [4.1480]
_cell_length_c [9.9703]
_c... |
agm002723184 | CdPRh2 | data_[Cd4P4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2294]
_cell_length_b [6.2294]
_cell_length_c [6.2294]
_cel... |
agm001930507 | BrPr2Tb | data_[Tb3Pr6Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7351]
_cell_length_b [3.7351]
_cell_length_c [32.0609]
_c... |
oqmd-1928455 | Au3La3Sb4 | data_[La12Sb16Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.1991]
_cell_length_b [10.1991]
_cell_length_c [10.19... |
agm004926105 | AgPtRb2Tl6 | data_[Rb12Tl36Ag6Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6805]
_cell_length_b [7... |
agm005865372 | DyPm8Sm2 | data_[Pm16Sm4Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5160]
_cell_length_b [5.1424]
_cell_length_c [8.1358]
_... |
mp-1094348 | MgTi | data_[Mg6Ti6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9265]
_cell_length_b [2.9703]
_cell_length_c [7.4496]
_cell_angle_alpha [90.0000]
_cell_an... |
oqmd-2016591 | Ca2N3P | data_[Ca16P8N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.1856]
_cell_length_b [10.2917]
_cell_length_c [11.2365]
_ce... |
agm002001995 | HTb2U | data_[Tb6U3H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
U 1.3800 1.7500 0.9913
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2209]
_cell_length_b [3.2209]
_cell_length_c [28.2277]
_cell_... |
agm004418517 | KRe2Rh | data_[K1Re2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7398]
_cell_length_b [3.7398]
_cell_length_c [5.0400]
_ce... |
agm005535950 | Nd3Tb7 | data_[Tb14Nd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3271]
_cell_length_b [5.0819]
_cell_length_c [7.2099]
_cell_angle_alpha [90.0000]
_cell... |
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