Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1218333 | Sr4FeMoO8 | data_[Sr8Fe2Mo2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5925]
_cell_length_b [12.8... |
mp-1289592 | Mn2FeReO6 | data_[Mn4Fe2Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2923]
_cell_length_b [5.423... |
mp-2352 | Na2O | data_[Na8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5951]
_cell_length_b [5.5951]
_cell_length_c [5.5951]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1214699 | Ba2ErCoCu2O7 | data_[Ba2Er1Co1Cu2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_... |
mp-10381 | K2CuSb | data_[K8Cu4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.6061]
_cell_length_b [7.9635]
_cell_length_c [6.2584]
_cel... |
mp-1223577 | KMgH5(SeO5)2 | data_[K1Mg1H5Se2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.... |
mp-755496 | Li4Ni3SnO8 | data_[Li12Ni9Sn3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9637]
_cell_length_b [5.9... |
mp-1223045 | LaGdAl4 | data_[La4Gd4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0194]
_cell_length_b [8.0194]
_cell_length_c [8.0194]
_... |
mp-1226329 | Cr3Fe3SiAs2 | data_[Cr3Fe3Si1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.0251]
_cell_length_b [6.... |
mp-1095607 | YGePt | data_[Y4Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0912]
_cell_length_b [4.3928]
_cell_length_c [7.6936]
_cell... |
mp-1189397 | Pr(FeAs3)4 | data_[Pr2Fe8As24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.3822]
_cell_length_b [8.3822]
_cell_length_c [8.3822]
_c... |
mp-19712 | PrAgPb | data_[Pr2Ag2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.9231]
_cell_length_b [4.9231]
_cell_length_c [7.7826]
_... |
mp-1185879 | MgHg3 | data_[Mg2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4199]
_cell_length_b [4.4199]
_cell_length_c [9.8556]
_cell_angle_alpha [90.0000]
_cell... |
mp-28658 | Na2CdCl4 | data_[Na4Cd2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.0975]
_cell_length_b [12.1408]
_cell_length_c [3.9982]
_c... |
mp-866174 | ThSnAu2 | data_[Th4Sn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
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 [7.2147]
_cell_length_b [7.2147]
_cell_length_c [7.2147]
_c... |
mp-1223074 | La4Cu3Sb8 | data_[La8Cu6Sb16]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2812]
_cell_length_b [6.2812]
_cell_length_c [20.2004]
... |
mp-1188267 | Bi2O3 | data_[Bi32O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.5010]
_cell_length_b [11.5010]
_cell_length_c [11.5010]
_cell_angle_alpha [90.0000]
_ce... |
mp-1220468 | Nb6SnTe8 | data_[Nb6Sn1Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.7342]
_cell_length_b [10.7342]
_cell_length_c [3.6714]
_c... |
mp-570321 | InSb2Se4Br | data_[In4Sb8Se16Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3213]
_cell_length_b [4... |
mp-34913 | Nd5ErS8 | data_[Nd10Er2S16]
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 [I-4]
_cell_length_a [8.5192]
_cell_length_b [8.5192]
_cell_length_c [8.5926]
_cel... |
mp-1224078 | InFeCoO4 | data_[In4Fe4Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.1524]
_cell_length_b [6.31... |
mp-971985 | TbAlCu2 | data_[Tb4Al4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4655]
_cell_length_b [6.4655]
_cell_length_c [6.4655]
_c... |
mp-1099249 | Mg3CuO4 | data_[Mg3Cu1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2489]
_cell_length_b [4.2489]
_cell_length_c [4.2489]
_cel... |
mp-1217841 | Tb(CuSe)3 | data_[Tb6Cu18Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9960]
_cell_length_b [6.9960]
_cell_length_c [19.7970]
_... |
mp-867188 | RbNpCuS3 | data_[Rb4Np4Cu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Np 1.3600 1.7500 1.0000
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0114]
_cell_length_b [14.5... |
mp-1078430 | ScCuGe | data_[Sc3Cu3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5606]
_cell_length_b [6.5606]
_cell_length_c [3.9977]
_c... |
mp-780486 | Mn6O5F7 | data_[Mn6O5F7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7322]
_cell_length_b [9.4933]
_cell_length_c [4.7717]
_cell_ang... |
mp-1205578 | NdSiOs2C | data_[Nd4Si4Os8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9771]
_cell_length_b [11.14... |
mvc-11656 | Mg(CoO2)4 | data_[Mg3Co12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6215]
_cell_length_b [5.6215]
_cell_length_c [14.6718]
_c... |
mp-998981 | TiAl3 | data_[Ti1Al3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9760]
_cell_length_b [3.9760]
_cell_length_c [3.9760]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187615 | YbHoCd2 | data_[Yb4Ho4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5065]
_cell_length_b [7.5065]
_cell_length_c [7.5065]
_c... |
mp-1184771 | Ir3Rh | data_[Ir3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8692]
_cell_length_b [3.8692]
_cell_length_c [3.8692]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1222419 | Li4Mg | data_[Li12Mg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1078]
_cell_length_b [3.1078]
_cell_length_c [37.1110]
_cell_angle_alpha [90.0000]
_cell... |
mp-1215343 | ZrO2F5 | data_[Zr2O4F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8224]
_cell_length_b [7.1565]
_cell_length_c [5.9049]
_cell_... |
mp-29056 | La3InC | data_[La3In1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2501]
_cell_length_b [5.2501]
_cell_length_c [5.2501]
_cel... |
mp-1187447 | ThPa3 | data_[Th1Pa3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pa 1.5000 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7366]
_cell_length_b [4.7366]
_cell_length_c [4.7366]
_cell_angle_alpha [90.0000]
_cell_... |
mp-4104 | HoPO4 | data_[Ho4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.9371]
_cell_length_b [6.9371]
_cell_length_c [6.0396]
_c... |
mp-997022 | AgAsO2 | data_[Ag4As4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5018]
_cell_length_b [4.5979]
_cell_length_c [6.9150]
_cell_a... |
mp-1215429 | ZnSnP2 | data_[Zn1Sn1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0277]
_cell_length_b [4.0277]
_cell_length_c [5.7084]
_cel... |
mp-15642 | SrMgSi | data_[Sr4Mg4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8228]
_cell_length_b [4.5963]
_cell_length_c [8.5306]
_ce... |
mp-1078002 | Mn(GaSe2)2 | data_[Mn2Ga4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.5635]
_cell_length_b [5.5635]
_cell_length_c [11.7093]
_... |
mp-810 | NiSb | data_[Ni2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9634]
_cell_length_b [3.9634]
_cell_length_c [5.1438]
_cell_angle_alpha [90.0000]
_ce... |
mp-1070907 | Hf2Sb3Pd | data_[Hf2Sb3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9476]
_cell_length_b [3.9476]
_cell_length_c [8.6152]
_c... |
mp-1221531 | Mn2SbTe | data_[Mn2Sb1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1583]
_cell_length_b [4.1583]
_cell_length_c [5.7080]
_c... |
mvc-11265 | Mg(CrS2)4 | data_[Mg3Cr12S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9583]
_cell_length_b [6.9583]
_cell_length_c [17.1246]
_c... |
mp-675920 | Ti6AgS12 | data_[Ti12Ag2S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1852]
_cell_length_b [10.2605]
_cell_length_c [5.9267]
_... |
mp-1217836 | TaVSi4 | data_[Ta3V3Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.6819]
_cell_length_b [13.0053]
_cell_length_c [4.7043]
_cell... |
mp-1173060 | AgBiS2 | data_[Ag4Bi4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.6211]
_cell_length_b [5.6211]
_cell_length_c [11.5383]
... |
mp-1079211 | Ce(PIr)2 | data_[Ce2P4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1582]
_cell_length_b [4.1582]
_cell_length_c [9.5967]
_ce... |
mp-1225088 | FeSbO4 | data_[Fe6Sb6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [6.6169]
_cell_length_b [6.7066]
_cell_length_c [9.3553]
_cel... |
mp-1025436 | YU2S3O2 | data_[Y2U4S6O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8135]
_cell_length_b [3.8135]
_... |
mp-759670 | Ni6OF11 | data_[Ni12O2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.0849]
_cell_length_b [6.6621]
_cell_length_c [19.9067]
_cel... |
mp-1018684 | Er2Mg3Ru | data_[Er2Mg3Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3583]
_cell_length_b [3.3583]
_cell_length_c [12.4968]
... |
mp-1218400 | SrCa3(CuO3)2 | data_[Sr2Ca6Cu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7595]
_cell_length_b [3.867... |
mp-568228 | RbLaSi(CN2)4 | data_[Rb2La2Si2C8N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a ... |
mp-28049 | BaBrCl | data_[Ba4Br4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1481]
_cell_length_b [5.0624]
_cell_length_c [10.2863]
_c... |
mp-1173150 | SrNbO3 | data_[Sr2Nb2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.7475]
_cell_length_b [5.7475]
_cell_length_c [4.1144]
_ce... |
mp-30819 | LiAl2Pt | data_[Li4Al8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0903]
_cell_length_b [6.0903]
_cell_length_c [6.0903]
_c... |
mp-30670 | Th3Ga2 | data_[Th6Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.0170]
_cell_length_b [8.0170]
_cell_length_c [4.2183]
_cell_angle_alpha [90.0000]
_cell... |
mp-3771 | MgTiO3 | data_[Mg6Ti6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1032]
_cell_length_b [5.1032]
_cell_length_c [14.0440]
_cel... |
mp-1224163 | Ho4Fe5Si3 | data_[Ho4Fe5Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0291]
_cell_length_b [4.0291]
_cell_length_c [13.0414]
_c... |
mp-1028576 | Te8MoW3 | data_[Te8Mo1W3]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5550]
_cell_length_b [3.5550]
_cell_length_c [40.1268]
_cel... |
mp-1069044 | TbCoSi3 | data_[Tb2Co2Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0519]
_cell_length_b [4.0519]
_cell_length_c [9.5404]
_ce... |
mp-1224944 | GaCu4Ni15 | data_[Ga1Cu4Ni15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5437]
_cell_length_b [3.5437]
_cell_length_c [17.6731]... |
mp-30786 | TmMn2 | data_[Tm4Mn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2997]
_cell_length_b [5.2997]
_cell_length_c [8.0112]
_cell_angle_alpha [90.0000]
_ce... |
mp-997089 | NaAuO2 | data_[Na2Au2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8150]
_cell_length_b [3.0679]
_cell_length_c [6.2503]
_cell... |
mp-13430 | Nd2AlCo2 | data_[Nd4Al2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0209]
_cell_length_b [5.6126]
_cell_length_c [8.8474]
_ce... |
mp-30949 | Sr3SiO | data_[Sr12Si4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2002]
_cell_length_b [10.1526]
_cell_length_c [7.1588]
_ce... |
mp-541656 | AuCl2 | data_[Au4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1505]
_cell_length_b [7.3043]
_cell_length_c [7.3505]
_cell_angle_alpha [88.1772]
_cell_an... |
mp-4182 | CrAgS2 | data_[Cr3Ag3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5398]
_cell_length_b [3.5398]
_cell_length_c [20.4564]
_cell... |
mp-1214781 | Ba4Nd(RuO4)3 | data_[Ba8Nd2Ru6O24]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3815]
_cell_length_b [5.9... |
mp-23304 | Rb3Bi | data_[Rb12Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1467]
_cell_length_b [9.1467]
_cell_length_c [9.1467]
_cell_angle_alpha [90.0000]
_cell... |
mp-1215275 | ZrCoNi | data_[Zr4Co4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8600]
_cell_length_b [4.9364]
_cell_length_c [6.9367]
_ce... |
mp-1173043 | NaBiS2 | data_[Na4Bi4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.6899]
_cell_length_b [5.6899]
_cell_length_c [11.8225]
... |
mp-14791 | Ge2Te5As2 | data_[Ge2Te5As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1643]
_cell_length_b [4.1643]
_cell_length_c [16.9650]
_... |
mp-30789 | U2Mo | data_[U4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4303]
_cell_length_b [3.4303]
_cell_length_c [9.7090]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1222507 | Li3Co2NiO6 | data_[Li3Co2Ni1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.9124]
_cell_length_b [2.91... |
mp-1224121 | HfZrS6 | data_[Hf1Zr1S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1787]
_cell_length_b [3.6327]
_cell_length_c [9.2340]
_cell_a... |
mp-867118 | LaSnAu2 | data_[La4Sn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
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 [7.2733]
_cell_length_b [7.2733]
_cell_length_c [7.2733]
_c... |
mp-1098010 | Li2Eu5O8 | data_[Li4Eu10O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5685]
_cell_length_b [3.5252]
_cell_length_c [9.7846]
_c... |
mp-755436 | Na3VO4 | data_[Na6V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.1836]
_cell_length_b [6.1517]
_cell_length_c [5.6029]
_cell... |
mp-699398 | CsMnMo(OF)3 | data_[Cs4Mn4Mo4O12F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_... |
mp-1092222 | HoNiSb2 | data_[Ho2Ni2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [4.3708]
_cell_length_b [4.3708]
_cell_length_c [9.3284]
_... |
mp-1029750 | Sr3RuN3 | data_[Sr6Ru2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.8162]
_cell_length_b [7.8162]
_cell_length_c [5.3372]
_ce... |
mp-1205693 | Ba2DyUO6 | data_[Ba8Dy4U4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8031]
_cell_length_b [8.803... |
mp-549697 | RbGeIO6 | data_[Rb1Ge1I1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1143]
_cell_length_b [5.1143]... |
mp-1103022 | TmGaPd | data_[Tm4Ga4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8218]
_cell_length_b [4.4395]
_cell_length_c [7.6473]
_ce... |
mp-23724 | KHCO3 | data_[K2H2C2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4172]
_cell_length_b [5.6308]
_cel... |
mp-1225078 | FeNi3 | data_[Fe3Ni9]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.4987]
_cell_length_b [2.4987]
_cell_length_c [24.5162]
_cell_angle_alpha [90.0000]
_cell_... |
mp-972415 | YErAl2 | data_[Y4Er4Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1764]
_cell_length_b [7.1764]
_cell_length_c [7.1764]
_cel... |
mp-1213646 | CsYMnSe3 | data_[Cs4Y4Mn4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2558]
_cell_length_b [16.1... |
mp-560600 | CsNiPdF5 | data_[Cs4Ni4Pd4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.6537]
_cell_length_b [7.58... |
mp-1187213 | Ta2ReOs | data_[Ta8Re4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3946]
_cell_length_b [6.3946]
_cell_length_c [6.3946]
_c... |
mp-850394 | LiV3OF11 | data_[Li1V3O1F11]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5110]
_cell_length_b [6.0022]
_c... |
mp-5992 | LaB2Ir2C | data_[La2B4Ir4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8937]
_cell_length_b [3.893... |
mp-1215320 | ZrCrCo | data_[Zr8Cr8Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.8864]
_cell_length_b [4.9661]
_cell_length_c [8.8087]
_ce... |
mp-560936 | Rb2NaCrF6 | data_[Rb8Na4Cr4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5919]
_cell_length_b [8.5... |
mp-1223257 | La2CrMoO6 | data_[La4Cr2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.6497]
_cell_length_b [5.64... |
mp-23270 | Th3Bi4 | data_[Th12Bi16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.6737]
_cell_length_b [9.6737]
_cell_length_c [9.6737]
_cell_angle_alpha [90.0000]
_cel... |
mp-755605 | TbCO3 | data_[Tb4C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3190]
_cell_length_b [4.8919]
_cell_length_c [8.0688]
_cel... |
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