Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1104546 | Co(BMo)3 | data_[Co4B12Mo12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1627]
_cell_length_b [8.4867]
_cell_length_c [10.7906]
_c... |
mp-1189069 | Nd(ErS2)3 | data_[Nd2Er6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0447]
_cell_length_b [3.9671]
_cell_length_c [11.2804]
... |
mp-1077854 | Rh3(PbSe)2 | data_[Rh9Pb6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8297]
_cell_length_b [5.8297]
_cell_length_c [14.7765]
_c... |
mp-1188769 | ErMoC2 | data_[Er4Mo4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6774]
_cell_length_b [3.3632]
_cell_length_c [10.7623]
_cel... |
mp-1220051 | NdHoAl4 | data_[Nd4Ho4Al16]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9464]
_cell_length_b [7.9464]
_cell_length_c [7.9464]
_... |
mp-7100 | LaOF | data_[La2O2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0918]
_cell_length_b [4.0918]
_cell_length_c [5.8572]
_cell... |
mp-29564 | Ba2Mg3Si4 | data_[Ba8Mg12Si16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1482]
_cell_length_b [4.6381]
_cell_length_c [15.6954]... |
mp-1246073 | Sr4SnN4 | data_[Sr8Sn2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4723]
_cell_length_b [6.5340]
_cell_length_c [9.6390]
_cell_... |
mp-1247294 | Ca4MnN4 | data_[Ca8Mn2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9418]
_cell_length_b [5.9762]
_cell_length_c [8.7272]
_cell_... |
mp-979427 | YHoZn2 | data_[Y4Ho4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1558]
_cell_length_b [7.1558]
_cell_length_c [7.1558]
_cel... |
mp-2670 | Nb3Ga | data_[Nb6Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.1890]
_cell_length_b [5.1890]
_cell_length_c [5.1890]
_cell_angle_alpha [90.0000]
_cell_... |
mp-997163 | MnAuO2 | data_[Mn3Au3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1621]
_cell_length_b [3.1621]
_cell_length_c [18.4631]
_cel... |
mp-1188905 | U3Co3Sb4 | data_[U12Co12Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.3175]
_cell_length_b [9.3175]
_cell_length_c [9.3175]
_... |
mp-573658 | Cs3BAs2 | data_[Cs12B4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
B 2.0400 0.8500 0.4100
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2001]
_cell_length_b [10.0343]
_cell_length_c [10.2172]
_... |
mp-562561 | MoO3 | data_[Mo2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9300]
_cell_length_b [3.7642]
_cell_length_c [7.4918]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-973653 | Lu2ZnAg | data_[Lu8Zn4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0686]
_cell_length_b [7.0686]
_cell_length_c [7.0686]
_c... |
mp-1078841 | LaMgPd | data_[La3Mg3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7710]
_cell_length_b [7.7710]
_cell_length_c [4.1633]
_c... |
mp-1518347 | BaNdEuSbO6 | data_[Ba2Nd2Eu2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1186647 | PmSm3 | data_[Pm2Sm6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3150]
_cell_length_b [7.3150]
_cell_length_c [5.9698]
_cell_angle_alpha [90.0000]
_ce... |
mp-1221523 | MnZnSe4 | data_[Mn2Zn2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3912]
_cell_length_b [6.3874]
_cell_length_c [6.3911]
_... |
mp-580597 | CsCrI3 | data_[Cs4Cr4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cr 1.6600 1.4000 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [8.2880]
_cell_length_b [14.1125]
_cell_length_c [7.0446]
_ce... |
mp-1217112 | Ti2CrSi6 | data_[Ti4Cr2Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [4.6257]
_cell_length_b [8.1067]
_cell_length_c [6.4427]
_c... |
mp-1215488 | Zn5Pd3 | data_[Zn5Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0734]
_cell_length_b [3.0734]
_cell_length_c [12.2881]
_cell_angle_alpha [90.0000]
_cel... |
mp-568055 | Nd(PRu)2 | data_[Nd2P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0789]
_cell_length_b [4.0789]
_cell_length_c [9.9913]
_ce... |
mp-1189843 | Np2Tc3Ge4 | data_[Np4Tc6Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8120]
_cell_length_b [8.2201]
_cell_length_c [5.7262]
_... |
mp-768197 | Li5SbS4 | data_[Li10Sb2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9152]
_cell_length_b [7.1434]
_cell_length_c [13.4773]
_ce... |
mp-20419 | Ca4In2N | data_[Ca16In8N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.9353]
_cell_length_b [4.9353]
_cell_length_c [29.1542]... |
mp-427 | FeAs | data_[Fe4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3973]
_cell_length_b [3.3150]
_cell_length_c [5.9979]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1223239 | La2Al7Cu | data_[La2Al7Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3271]
_cell_length_b [4.3271]
_cell_length_c [10.9888]
_c... |
mp-7224 | ThC2 | data_[Th4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.7224]
_cell_length_b [4.2909]
_cell_length_c [6.7110]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1017577 | Ho3AlN | data_[Ho3Al1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7442]
_cell_length_b [4.7442]
_cell_length_c [4.7442]
_cel... |
mp-1173950 | Li3Mn2CoO6 | data_[Li3Mn2Co1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0762]
_cell_length_b [5.0981... |
mp-756857 | V4SnO12 | data_[V8Sn2O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.3723]
_cell_length_b [9.1775]
_cell_length_c [5.9852]
_cell_a... |
mp-9938 | Hf2Si | data_[Hf8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5770]
_cell_length_b [6.5770]
_cell_length_c [5.2002]
_cell_angle_alpha [90.0000]
_cell... |
mp-22758 | U(SiIr)2 | data_[U2Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1049]
_cell_length_b [4.1049]
_cell_length_c [9.9008]
_ce... |
mp-36225 | Na3ZrF7 | data_[Na6Zr2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7882]
_cell_length_b [7.7618]
_cell_length_c [6.3385]
_cell_... |
mp-572797 | Cs2IrF6 | data_[Cs2Ir1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3397]
_cell_length_b [6.3397]
_cell_length_c [5.1296]
_cel... |
mp-989399 | Ca6Al2NF | data_[Ca24Al8N4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8554]
_cell_length_b [9.855... |
mp-1188721 | IN4 | data_[I4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [8.9944]
_cell_length_b [9.5127]
_cell_length_c [5.9771]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1224771 | Fe3NiP4 | data_[Fe3Ni1P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0417]
_cell_length_b [3.2481]
_cell_length_c [5.6409]
_cell_a... |
mp-1077362 | YMnNi4 | data_[Y4Mn4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9449]
_cell_length_b [6.9449]
_cell_length_c [6.9449]
_ce... |
mp-1225125 | Fe3Si4Ir | data_[Fe9Si12Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.4232]
_cell_length_b [6.4232]
_cell_length_c [7.9091]
_cel... |
mp-35717 | LiDySe2 | data_[Li4Dy4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.6938]
_cell_length_b [5.6938]
_cell_length_c [11.5758... |
mp-979713 | YHgPd2 | data_[Y4Hg4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8096]
_cell_length_b [6.8096]
_cell_length_c [6.8096]
_cel... |
mp-1104320 | Ti4GaS8 | data_[Ti16Ga4S32]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.9722]
_cell_length_b [9.9722]
_cell_length_c [9.9722]
_c... |
mp-1039381 | CeMg2 | data_[Ce4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1855]
_cell_length_b [17.7722]
_cell_length_c [5.5376]
_cell_angle_alpha [90.0000]
_cell_... |
mp-570291 | DyGa3 | data_[Dy1Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2710]
_cell_length_b [4.2710]
_cell_length_c [4.2710]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217402 | TbZnSi | data_[Tb1Zn1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1266]
_cell_length_b [4.1266]
_cell_length_c [4.0674]
_c... |
mp-634657 | NaHS | data_[Na2H2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9680]
_cell_length_b [4.4988]
_cell_length_c [6.0285]
_cell... |
mp-1210463 | Na3CuF6 | data_[Na6Cu2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5496]
_cell_length_b [5.7608]
_cell_length_c [9.7035]
_c... |
mp-752932 | RbMn4O8 | data_[Rb2Mn8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0695]
_cell_length_b [3.0050]
_cell_length_c [9.9695]
_ce... |
mp-13374 | LaTmO3 | data_[La4Tm4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tm 1.2500 1.7500 1.0950
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0514]
_cell_length_b [8.4682]
_cell_length_c [5.8571]
_cel... |
mp-1519364 | Ba2CeBiO6 | data_[Ba8Ce4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9039]
_cell_length_b [8.9... |
mp-1227074 | CeCdIn | data_[Ce2Cd2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9997]
_cell_length_b [4.9997]
_cell_length_c [7.3493]
_c... |
mp-1078079 | AgPPd5 | data_[Ag1P1Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9688]
_cell_length_b [3.9688]
_cell_length_c [7.0052]
_ce... |
mp-971705 | Tm2MgTl | data_[Tm8Mg4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4694]
_cell_length_b [7.4694]
_cell_length_c [7.4694]
_c... |
mp-510708 | LiFe(SiO3)2 | data_[Li4Fe4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8397]
_cell_length_b [8.80... |
mvc-6611 | SnO2 | data_[Sn8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.4978]
_cell_length_b [6.8289]
_cell_length_c [6.8280]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1220744 | NaYTi2O6 | data_[Na2Y2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6437]
_cell_length_b [5.54... |
mp-1217300 | ThAl2Fe3 | data_[Th2Al4Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3385]
_cell_length_b [8.7003]
_cell_length_c [4.1226]
_ce... |
mp-1216215 | Y4NiSn8 | data_[Y4Ni1Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4029]
_cell_length_b [4.4120]
_cell_length_c [16.9087]
_cel... |
mp-1220867 | NaTlO | data_[Na2Tl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.5552]
_cell_length_b [3.5552]
_cell_length_c [11.5627]
_c... |
mvc-11726 | CaLa2MoO6 | data_[Ca3La6Mo3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.9963]
_cell_length_b [5.996... |
mp-865945 | LuInNi2 | data_[Lu4In4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3787]
_cell_length_b [6.3787]
_cell_length_c [6.3787]
_c... |
mp-1080033 | SiNiPd | data_[Si3Ni3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.1270]
_cell_length_b [6.1270]
_cell_length_c [3.4872]
_c... |
mp-755056 | CaPbI4 | data_[Ca2Pb2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.6579]
_cell_length_b [10.7500]
_cell_length_c [4.7692]
_ce... |
mp-540735 | Cs2UBr6 | data_[Cs8U4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
U 1.3800 1.7500 0.9913
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4393]
_cell_length_b [11.4393]
_cell_length_c [11.4393]
... |
mp-1111232 | K2NaNdBr6 | data_[K8Na4Nd4Br24]
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
Nd 1.1400 1.8500 1.2765
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5351]
_cell_length_b [11... |
mp-690799 | Zr(TiH2)2 | data_[Zr8Ti16H32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.1523]
_cell_length_b [8.1523]
_cell_length_c [8.1523]
_c... |
mp-1517250 | Ba2SmWO6 | data_[Ba8Sm4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6219]
_cell_length_b [8.621... |
mp-286 | YbSe | data_[Yb4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9158]
_cell_length_b [5.9158]
_cell_length_c [5.9158]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1220810 | Nb10(SnGe)3 | data_[Nb40Sn12Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.2431]
_cell_length_b [15.0100]
_cell_length_c [14.8672... |
mp-1212831 | DySiRh | data_[Dy4Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9337]
_cell_length_b [4.2602]
_cell_length_c [7.3818]
_ce... |
mp-865957 | AcSnAu2 | data_[Ac4Sn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4416]
_cell_length_b [7.4416]
_cell_length_c [7.4416]
_c... |
mp-22849 | BiI3 | data_[Bi6I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.8350]
_cell_length_b [7.8350]
_cell_length_c [23.0858]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-2606 | BaPd5 | data_[Ba1Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6071]
_cell_length_b [5.6071]
_cell_length_c [4.4211]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216686 | TiNbO4 | data_[Ti2Nb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7166]
_cell_length_b [6.8676]
_cell_length_c [2.9894]
_cell... |
mp-1111112 | K2LiGaF6 | data_[K8Li4Ga4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1084]
_cell_length_b [8.108... |
mp-861994 | Ho2TlCd | data_[Ho8Tl4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5132]
_cell_length_b [7.5132]
_cell_length_c [7.5132]
_c... |
mp-1211387 | LaNiAs | data_[La4Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1983]
_cell_length_b [4.1983]
_cell_length_c [16.4178... |
mp-1219721 | PrNdAl6 | data_[Pr1Nd1Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.5946]
_cell_length_b [6.5946]
_cell_length_c [4.5245]
_c... |
mp-7046 | RbDyS2 | data_[Rb3Dy3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0818]
_cell_length_b [4.0818]
_cell_length_c [23.0435]
_cel... |
mp-1700 | AlN | data_[Al4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.4014]
_cell_length_b [4.4014]
_cell_length_c [4.4014]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-752562 | MnNiO2 | data_[Mn1Ni1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0944]
_cell_length_b [3.0944]
_cell_length_c [4.3741]
_ce... |
mp-504 | CuS | data_[Cu6S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.7966]
_cell_length_b [3.7966]
_cell_length_c [16.4407]
_cell_angle_alpha [90.0000]
_cel... |
mp-861955 | LiPm2Ge | data_[Li4Pm8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2952]
_cell_length_b [7.2952]
_cell_length_c [7.2952]
_c... |
mp-1030461 | TeMoS | data_[Te4Mo4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3592]
_cell_length_b [3.3592]
_cell_length_c [38.2703]
_ce... |
mp-1228867 | As4PRh10 | data_[As12P3Rh30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0365]
_cell_length_b [4.0365]
_cell_length_c [49.7809]
_c... |
mp-772968 | LiTlPHO3 | data_[Li4Tl4P4H4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14... |
mp-1079636 | DyNiSb2 | data_[Dy2Ni2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3769]
_cell_length_b [4.3769]
_cell_length_c [9.2574]
_... |
mp-1225844 | Cu(Bi4Ir)3 | data_[Cu1Bi12Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.1269]
_cell_length_b [4.2424]
_cell_length_c [11.6855]
_ce... |
mp-1223365 | La2CuRhO6 | data_[La4Cu2Rh2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6145]
_cell_length_b [5.... |
mp-1185840 | MgAg2 | data_[Mg4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5951]
_cell_length_b [3.0843]
_cell_length_c [7.1110]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753567 | LiVF6 | data_[Li4V4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.4307]
_cell_length_b [5.4084]
_cell_length_c [9.8663]
_cell_an... |
mp-1185285 | LiAcHg2 | data_[Li4Ac4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6108]
_cell_length_b [7.6108]
_cell_length_c [7.6108]
_c... |
mp-1225296 | GdTiFe11C | data_[Gd2Ti2Fe22C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.8784]
_cell_length_b [8.55... |
mp-1104876 | Ba5Cd2(Sb2O)2 | data_[Ba10Cd4Sb8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5530]
_cell_length_b [5.0... |
mp-643378 | CuH4Pb2(ClO2)2 | data_[Cu1H4Pb2Cl2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
mp-765195 | WO2F | data_[W4O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9580]
_cell_length_b [5.5048]
_cell_length_c [5.5067]
_cell_ang... |
mp-1224881 | Ga3Te3As | data_[Ga6Te6As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9213]
_cell_length_b [4.1721]
_cell_length_c [7.3081]
_cel... |
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