Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mvc-11476 | Mg(VS2)4 | data_[Mg3V12S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5218]
_cell_length_b [6.5218]
_cell_length_c [19.2671]
_cel... |
mp-1187025 | SmAlO3 | data_[Sm4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3126]
_cell_length_b [7.5311]
_cell_length_c [5.3584]
_cel... |
mp-1104814 | Ho3Ni2 | data_[Ho27Ni18]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.4709]
_cell_length_b [8.4709]
_cell_length_c [15.6510]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216795 | TmMn6GaGe5 | data_[Tm1Mn6Ga1Ge5]
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
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [5.1875]
_cell_length_b [5.1... |
mp-1114466 | Rb2AlTlBr6 | data_[Rb8Al4Tl4Br24]
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
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4064]
_cell_length_b [... |
mp-865949 | TmNpRu2 | data_[Tm4Np4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Np 1.3600 1.7500 1.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7334]
_cell_length_b [6.7334]
_cell_length_c [6.7334]
_c... |
mp-21359 | SbRh2 | data_[Sb4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8472]
_cell_length_b [4.2228]
_cell_length_c [8.0516]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1105574 | Ce(LuS2)3 | data_[Ce2Lu6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Lu 1.2700 1.7500 1.0010
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9660]
_cell_length_b [3.9228]
_cell_length_c [11.1811]
... |
mp-771690 | Li3MgNi3O8 | data_[Li3Mg1Ni3O8]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9188]
_cell_length_b [5.786... |
mp-1189245 | Tm5Rh3 | data_[Tm10Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.1962]
_cell_length_b [8.1962]
_cell_length_c [6.1681]
_cell_angle_alpha [90.0000]
_c... |
mp-555194 | SiHg3(SF3)2 | data_[Si1Hg3S2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.4049]
_cell_length_b [7.4049... |
mp-865203 | YCuPbS3 | data_[Y4Cu4Pb4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9298]
_cell_length_b [13.053... |
mp-1209441 | Rb2MnI4 | data_[Rb4Mn2I8]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1691]
_cell_length_b [8.3854]
_cell_length_c [10.2847]
_c... |
mp-1114618 | Rb3AsI6 | data_[Rb12As4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.6959]
_cell_length_b [12.6959]
_cell_length_c [12.6959]... |
mp-1105634 | Ni5(AsO6)2 | data_[Ni10As4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4083]
_cell_length_b [8.8599]
_cell_length_c [5.1193]
_ce... |
mp-1087471 | FeCu2GeSe4 | data_[Fe2Cu4Ge2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.6443]
_cell_length_b [5.... |
mp-1178568 | Ba3Ce2O6 | data_[Ba6Ce4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5277]
_cell_length_b [4.5277]
_cell_length_c [21.9984]
_... |
mp-754113 | TmClO | data_[Tm2Cl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.7068]
_cell_length_b [4.1545]
_cell_length_c [9.2006]
_cell... |
mp-643759 | GaH3NF3 | data_[Ga4H12N4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Aem2]
_cell_length_a [5.5844]
_cell_length_b [5.5201]... |
mp-569396 | BaLi2(MgGe)2 | data_[Ba3Li6Mg6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6213]
_cell_length_b [4.6... |
mp-1224765 | Fe3NiSb8 | data_[Fe3Ni1Sb8]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7703]
_cell_length_b [3.2715]
_cell_length_c [13.0445]
_c... |
mp-1147775 | Ba2OsO4 | data_[Ba4Os2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0196]
_cell_length_b [4.0196]
_cell_length_c [13.6819]
_c... |
mp-971799 | DyYHg2 | data_[Dy4Y4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4663]
_cell_length_b [7.4663]
_cell_length_c [7.4663]
_cel... |
mp-754824 | SrO | data_[Sr2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3075]
_cell_length_b [4.3075]
_cell_length_c [5.2049]
_cell_angle_alpha [90.0000]
_cell... |
mp-697742 | MnP2O7 | data_[Mn2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0171]
_cell_length_b [6.3093]
_cell_length_c [8.4617]
_cell_a... |
mp-862586 | Re3Pd | data_[Re6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5788]
_cell_length_b [5.5788]
_cell_length_c [4.4425]
_cell_angle_alpha [90.0000]
_ce... |
mp-1026356 | Te4W3Se2 | data_[Te4W3Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4776]
_cell_length_b [3.4776]
_cell_length_c [32.0832]
_ce... |
mp-1304368 | Mn2O3 | data_[Mn8O12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0740]
_cell_length_b [5.1147]
_cell_length_c [5.9172]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1077023 | TiCu2 | data_[Ti4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.9862]
_cell_length_b [4.5123]
_cell_length_c [4.4641]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-2731 | TiGa3 | data_[Ti2Ga6]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8058]
_cell_length_b [3.8058]
_cell_length_c [8.8172]
_cell_angle_alpha [90.0000]
_cell... |
mp-1518915 | BaCeEuWO6 | data_[Ba2Ce2Eu2W2O12]
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
Eu 1.2000 1.8500 1.1985
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a ... |
mp-1219834 | Pr2SbAu3 | data_[Pr2Sb1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7273]
_cell_length_b [4.7189]
_cell_length_c [8.4915]
_ce... |
mp-1186955 | Sc2NiPd | data_[Sc8Ni4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4997]
_cell_length_b [6.4997]
_cell_length_c [6.4997]
_c... |
mp-19881 | Dy3InC | data_[Dy3In1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
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 [4.9233]
_cell_length_b [4.9233]
_cell_length_c [4.9233]
_cel... |
mp-569939 | AgBi2Se3Cl | data_[Ag2Bi4Se6Cl2]
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
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1501]
_cell_length_b [4... |
mp-569803 | B2W | data_[B8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0188]
_cell_length_b [3.0188]
_cell_length_c [14.0895]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1219141 | SmAlNi | data_[Sm8Al8Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5198]
_cell_length_b [5.4716]
_cell_length_c [9.3501]
_ce... |
mp-14210 | LiGdGe | data_[Li3Gd3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1516]
_cell_length_b [7.1516]
_cell_length_c [4.3051]
_c... |
mp-1207080 | TbHSe | data_[Tb1H1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.8636]
_cell_length_b [3.8636]
_cell_length_c [3.9248]
_cel... |
mp-3107 | Ga3PO7 | data_[Ga9P3O21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0107]
_cell_length_b [8.0107]
_cell_length_c [6.8144]
_cell_a... |
mp-1216933 | U3(Ga2Cu)4 | data_[U6Ga16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0930]
_cell_length_b [4.0930]
_cell_length_c [31.6203]
_c... |
mp-998787 | CaTlCl3 | data_[Ca4Tl4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1270]
_cell_length_b [13.8760]
_cell_length_c [10.3484]
... |
mp-7297 | Cs2SnF6 | data_[Cs2Sn1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.4399]
_cell_length_b [6.4399]
_cell_length_c [5.1748]
_cel... |
mp-568032 | Cd(InSe2)2 | data_[Cd1In2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.9121]
_cell_length_b [5.9121]
_cell_length_c [6.0795]
_c... |
mp-1102857 | SbTeRu | data_[Sb4Te4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6942]
_cell_length_b [6.5907]
_cell_length_c [6.7581]
_... |
mp-1025441 | Ta2AlC | data_[Ta4Al2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1044]
_cell_length_b [3.1044]
_cell_length_c [13.9311]
... |
mp-1072429 | Ga2Ru | data_[Ga16Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.7825]
_cell_length_b [8.2845]
_cell_length_c [8.7818]
_cell_angle_alpha [90.0000]
_cell_... |
mp-755779 | CaLaI5 | data_[Ca4La4I20]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4814]
_cell_length_b [15.4392]
_cell_length_c [19.1914]
_c... |
mp-7917 | HfGeSe | data_[Hf2Ge2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7256]
_cell_length_b [3.7256]
_cell_length_c [8.2479]
_... |
mp-888 | CaAs | data_[Ca6As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9162]
_cell_length_b [7.9162]
_cell_length_c [5.9208]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1213824 | Ce4Ge3 | data_[Ce16Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.9878]
_cell_length_b [8.9878]
_cell_length_c [8.9878]
_cell_angle_alpha [90.0000]
_cel... |
mp-7939 | NaNbSe2 | data_[Na2Nb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5831]
_cell_length_b [3.5831]
_cell_length_c [15.0333... |
mp-551816 | YBi2IO4 | data_[Y1Bi2I1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9521]
_cell_length_b [3.9521]... |
mp-865000 | HfScIr2 | data_[Hf4Sc4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5203]
_cell_length_b [6.5203]
_cell_length_c [6.5203]
_c... |
mp-4941 | Sr2SnO4 | data_[Sr8Sn4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.7999]
_cell_length_b [12.5809]
_cell_length_c [5.9190]
_ce... |
mp-1102923 | EuCdGe | data_[Eu4Cd4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5975]
_cell_length_b [4.5799]
_cell_length_c [8.6203]
_ce... |
mp-30611 | ErSnPt2 | data_[Er2Sn2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5519]
_cell_length_b [4.5519]
_cell_length_c [9.0540]... |
mp-1222489 | Li3Ga14 | data_[Li9Ga42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4511]
_cell_length_b [8.4511]
_cell_length_c [16.7896]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1222417 | LuAlCo | data_[Lu8Al8Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3308]
_cell_length_b [5.3287]
_cell_length_c [9.0568]
_ce... |
mp-1003484 | MgMn4O8 | data_[Mg1Mn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2797]
_cell_length_b [5.8196]
_cell_length_c [5.9763]
_cell_... |
mp-11691 | Nd2HgO4 | data_[Nd8Hg4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0261]
_cell_length_b [3.8437]
_cell_length_c [10.3551]
_c... |
mp-1111918 | K2NaMoCl6 | data_[K8Na4Mo4Cl24]
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
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3760]
_cell_length_b [10... |
mp-1228950 | AlGa(CuSe2)2 | data_[Al2Ga2Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.6541]
_cell_length_b [5.65... |
mp-39 | Tl | data_[Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [3.9635]
_cell_length_b [3.9635]
_cell_length_c [3.9635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-755430 | Co3OF5 | data_[Co6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7316]
_cell_length_b [5.6754]
_cell_length_c [7.8330]
_cell_an... |
mp-1246833 | Sc4S3N2 | data_[Sc8S6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1228]
_cell_length_b [3.5919]
_cell_length_c [9.1993]
_cell_... |
mp-556120 | RbTl(SO4)2 | data_[Rb3Tl3S6O24]
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
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.0120]
_cell_length_b [5.0120]... |
mp-849495 | Li4Mn2Cu3O10 | data_[Li4Mn2Cu3O10]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0432]
_cell_length_b [5.387... |
mp-1218483 | Sr4ZnCu(WO6)2 | data_[Sr4Zn1Cu1W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a... |
mp-556231 | In2GaBiS6 | data_[In4Ga2Bi2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3822]
_cell_length_b [3... |
mp-1208414 | Tb5Ni2Sb | data_[Tb20Ni8Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6564]
_cell_length_b [7.6564]
_cell_length_c [13.3463]... |
mp-1219937 | Pr2Al7Cu | data_[Pr2Al7Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2745]
_cell_length_b [4.2745]
_cell_length_c [11.0125]
_c... |
mp-1214809 | Al6GeW | data_[Al6Ge1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.0350]
_cell_length_b [5.0350]
_cell_length_c [5.0350]
_cell... |
mp-1216112 | Y5Sc5Si6 | data_[Y10Sc10Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.0263]
_cell_length_b [14.2277]
_cell_length_c [8.2724]
_... |
mp-41 | Zr | data_[Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [3.5833]
_cell_length_b [3.5833]
_cell_length_c [3.5833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-5615 | CaAgAs | data_[Ca3Ag3As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2663]
_cell_length_b [7.2663]
_cell_length_c [4.3127]
_c... |
mp-19939 | La(CoGe)2 | data_[La2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1108]
_cell_length_b [4.1108]
_cell_length_c [10.2408]
... |
mp-567970 | Hf3(Al2C3)2 | data_[Hf9Al12C18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3287]
_cell_length_b [3.3287]
_cell_length_c [48.9097]
_c... |
mp-22909 | ZnCl2 | data_[Zn4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6481]
_cell_length_b [5.6481]
_cell_length_c [10.3009]
_cell_angle_alpha [90.0000]
_cell... |
mp-1222790 | LaNdC4 | data_[La1Nd1C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8948]
_cell_length_b [3.8948]
_cell_length_c [6.5262]
_ce... |
mp-1223066 | La4Mn3Sb8 | data_[La8Mn6Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2678]
_cell_length_b [6.2678]
_cell_length_c [21.3893]
... |
mvc-11781 | CaTi2F10 | data_[Ca2Ti4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1167]
_cell_length_b [6.6256]
_cell_length_c [7.7954]
_cell_... |
mp-1215939 | YCuSi2Ni | data_[Y2Cu2Si4Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9813]
_cell_length_b [3.98... |
mp-1061861 | TiPd2 | data_[Ti2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0507]
_cell_length_b [3.5311]
_cell_length_c [8.6827]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20984 | Ce3In | data_[Ce3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8150]
_cell_length_b [4.8150]
_cell_length_c [4.8150]
_cell_angle_alpha [90.0000]
_cell_... |
mp-36125 | Li2MnBr4 | data_[Li4Mn2Br8]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5203]
_cell_length_b [5.5203]
_cell_length_c [10.9772]
... |
mp-754971 | Cs3TmO3 | data_[Cs12Tm4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tm 1.2500 1.7500 1.0950
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9642]
_cell_length_b [12.8974]
_cell_length_c [7.6307]
_c... |
mp-1216358 | VCu3Te3Se | data_[V3Cu9Te9Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2317]
_cell_length_b [8.2317... |
mp-1114642 | Rb2LiGaF6 | data_[Rb8Li4Ga4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
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 [8.3300]
_cell_length_b [8.3... |
mp-1217848 | Tb(CuS)3 | data_[Tb6Cu18S18]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.6901]
_cell_length_b [6.6901]
_cell_length_c [19.1469]
_ce... |
mp-117 | Sn | data_[Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.6463]
_cell_length_b [6.6463]
_cell_length_c [6.6463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1104503 | YGa3Ru | data_[Y3Ga9Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4635]
_cell_length_b [6.4635]
_cell_length_c [6.4635]
_cel... |
mp-28066 | ThBrN | data_[Th2Br2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0609]
_cell_length_b [4.0609]
_cell_length_c [8.6925]
_ce... |
mp-1078340 | Ce(AlPd)2 | data_[Ce2Al4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3087]
_cell_length_b [4.3087]
_cell_length_c [10.3834]
... |
mp-1027795 | Mo3W(SeS3)2 | data_[Mo3W1Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2217]
_cell_length_b [3.2217]... |
mp-1078249 | Co(RhSe2)2 | data_[Co2Rh4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2016]
_cell_length_b [3.7304]
_cell_length_c [6.4299]
_c... |
mp-1205856 | Eu2LuTaO6 | data_[Eu8Lu4Ta4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Lu 1.2700 1.7500 1.0010
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2970]
_cell_length_b [8.2... |
mp-29551 | Na3Hg | data_[Na12Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7517]
_cell_length_b [7.7517]
_cell_length_c [7.7517]
_cell_angle_alpha [90.0000]
_cell... |
mp-1190005 | Pr3Sn5 | data_[Pr12Sn20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.2843]
_cell_length_b [8.2787]
_cell_length_c [10.7409]
_cell_angle_alpha [90.0000]
_ce... |
mp-19002 | TmNiO3 | data_[Tm4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5421]
_cell_length_b [7.4138]
_cell_length_c [5.1711]
_cel... |
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