Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1113667 | Rb2BiAuCl6 | data_[Rb8Bi4Au4Cl24]
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
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8662]
_cell_length_b [... |
mp-1079671 | Tb2CuGe6 | data_[Tb4Cu2Ge12]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0761]
_cell_length_b [4.0695]
_cell_length_c [21.3840]
_... |
mp-19873 | DySiRu | data_[Dy4Si4Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0028]
_cell_length_b [4.3414]
_cell_length_c [7.1091]
_ce... |
mp-505825 | Cs2PtC2 | data_[Cs2Pt1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pt 2.2800 1.3500 0.8050
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7572]
_cell_length_b [5.7572]
_cell_length_c [5.2584]
_cel... |
mp-1213066 | ErNiPb | data_[Er4Ni4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1086]
_cell_length_b [4.3497]
_cell_length_c [8.0665]
_ce... |
mp-754266 | Li8TiS6 | data_[Li24Ti3S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7206]
_cell_length_b [6.7206]
_cell_length_c [18.3070]
_ce... |
mp-771648 | RbCrO2 | data_[Rb3Cr3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1767]
_cell_length_b [3.1767]
_cell_length_c [18.8538]
_cel... |
mp-1223089 | La3Nd(CuO4)2 | data_[La3Nd1Cu2O8]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0041]
_cell_length_b [4.004... |
mp-1206824 | NpGa5Fe | data_[Np1Ga5Fe1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3331]
_cell_length_b [4.3331]
_cell_length_c [6.6621]
_... |
mp-978265 | Mg2ZnPd | data_[Mg8Zn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4659]
_cell_length_b [6.4659]
_cell_length_c [6.4659]
_c... |
mp-1184488 | In3Bi | data_[In3Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9263]
_cell_length_b [4.9263]
_cell_length_c [4.9263]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187656 | YbCeAu2 | data_[Yb4Ce4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ce 1.1200 1.8500 1.0800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2725]
_cell_length_b [7.2725]
_cell_length_c [7.2725]
_c... |
mp-974788 | Nd | data_[Nd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7120]
_cell_length_b [3.7120]
_cell_length_c [26.8473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1183204 | Ba2CdHg | data_[Ba8Cd4Hg4]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5028]
_cell_length_b [8.5028]
_cell_length_c [8.5028]
_c... |
mp-611 | Ag3Sn | data_[Ag6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.9289]
_cell_length_b [5.9784]
_cell_length_c [5.2996]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1100779 | ZrZnPt2 | data_[Zr4Zn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4842]
_cell_length_b [6.4842]
_cell_length_c [6.4842]
_c... |
mp-1105567 | Nd7Pt3 | data_[Nd14Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.1854]
_cell_length_b [10.1854]
_cell_length_c [6.5226]
_cell_angle_alpha [90.0000]
_c... |
mp-1078259 | GaBO3 | data_[Ga6B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [4.6206]
_cell_length_b [4.6206]
_cell_length_c [14.4218]
_cell... |
mp-865565 | CsSn3 | data_[Cs2Sn6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.1754]
_cell_length_b [8.1754]
_cell_length_c [5.4929]
_cell_angle_alpha [90.0000]
_ce... |
mp-1017540 | ZrCd | data_[Zr2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.1059]
_cell_length_b [3.1059]
_cell_length_c [9.2897]
_cell_angle_alpha [90.0000]
_cell... |
mp-2533 | NbO2 | data_[Nb2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.0043]
_cell_length_b [5.0043]
_cell_length_c [2.9331]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217273 | ThAl2Ni3 | data_[Th2Al4Ni6]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1900]
_cell_length_b [8.6495]
_cell_length_c [4.1303]
_ce... |
mp-1001022 | Cu2PPd2 | data_[Cu8P4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Ccc2]
_cell_length_a [7.0143]
_cell_length_b [7.2480]
_cell_length_c [5.4900]
_cell... |
mp-1210445 | Na3LuCl6 | data_[Na6Lu2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Lu 1.2700 1.7500 1.0010
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9603]
_cell_length_b [7.2636]
_cell_length_c [12.2980]... |
mp-7926 | TaSe2 | data_[Ta4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.4749]
_cell_length_b [3.4749]
_cell_length_c [28.5216]
_cell_angle_alpha [90.0000]
_cel... |
mp-1010953 | MgNi | data_[Mg1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0465]
_cell_length_b [3.0465]
_cell_length_c [3.0465]
_cell_angle_alpha [90.0000]
_cell_... |
mp-27330 | La3(OsO5)2 | data_[La6Os4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9440]
_cell_length_b [8.0097]
_cell_length_c [7.0341]
_cel... |
mp-21130 | Np(CoSi)2 | data_[Np2Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8342]
_cell_length_b [3.8342]
_cell_length_c [9.6674]
_... |
mp-20666 | SmIn2Rh | data_[Sm4In8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4429]
_cell_length_b [10.2541]
_cell_length_c [7.9972]
_c... |
mp-1176675 | LiLuO2 | data_[Li4Lu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9926]
_cell_length_b [6.1255]
_cell_length_c [6.0422]
_ce... |
mp-553932 | GaPO4 | data_[Ga4P4O16]
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 [C222_1]
_cell_length_a [7.0732]
_cell_length_b [7.0845]
_cell_length_c [7.0021]
_cel... |
mp-864901 | LaAu3 | data_[La2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6421]
_cell_length_b [6.6421]
_cell_length_c [4.8096]
_cell_angle_alpha [90.0000]
_ce... |
mp-1190316 | YbFe4(CuO4)3 | data_[Yb2Fe8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4213]
_cell_length_b [7.42... |
mp-2341 | Li3N | data_[Li6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5645]
_cell_length_b [3.5645]
_cell_length_c [6.3490]
_cell_angle_alpha [90.0000]
_cell... |
mp-1207542 | YbNi5P3 | data_[Yb4Ni20P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5461]
_cell_length_b [11.6132]
_cell_length_c [11.4400]
_... |
mp-758252 | LiV2F5 | data_[Li4V8F20]
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 [Cmcm]
_cell_length_a [4.1898]
_cell_length_b [10.2238]
_cell_length_c [10.4071]
_cel... |
mp-1228386 | Ba2CeZrO6 | data_[Ba2Ce1Zr1O6]
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
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1802]
_cell_length_b [6.1... |
mp-1025127 | UB2Rh2C | data_[U2B4Rh4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7961]
_cell_length_b [3.7961]... |
mp-1185508 | LuScCu2 | data_[Lu4Sc4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6787]
_cell_length_b [6.6787]
_cell_length_c [6.6787]
_c... |
mp-22880 | FeBr2 | data_[Fe1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7280]
_cell_length_b [3.7280]
_cell_length_c [6.5578]
_cell_angle_alpha [90.0000]
_cell_... |
mp-21126 | V2PbO6 | data_[V8Pb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2548]
_cell_length_b [3.7144]
_cell_length_c [9.6727]
_cell... |
mp-9023 | ScSiAu | data_[Sc2Si2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2617]
_cell_length_b [4.2617]
_cell_length_c [6.8628]
_c... |
mp-1216702 | UF3 | data_[U1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1835]
_cell_length_b [4.1835]
_cell_length_c [4.6386]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-632715 | Cs3CeF6 | data_[Cs12Ce4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.2984]
_cell_length_b [10.2984]
_cell_length_c [10.2984]... |
mp-1018698 | EuHgPb | data_[Eu2Hg2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.1026]
_cell_length_b [5.1026]
_cell_length_c [8.0645]
_... |
mp-1206466 | SbPbBrO2 | data_[Sb4Pb4Br4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7572]
_cell_length_b [12.92... |
mp-1114367 | Rb2NaPdF6 | data_[Rb8Na4Pd4F24]
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
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7416]
_cell_length_b [8.7... |
mp-1187436 | Ti2CuRe | data_[Ti8Cu4Re4]
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
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2010]
_cell_length_b [6.2010]
_cell_length_c [6.2010]
_c... |
mp-1094489 | Mg2Zn | data_[Mg8Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1623]
_cell_length_b [3.1100]
_cell_length_c [7.1799]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1019731 | EuAl3(BO3)4 | data_[Eu3Al9B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.3835]
_cell_length_b [9.3835... |
mp-610631 | LaGeAu | data_[La2Ge2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5561]
_cell_length_b [4.5561]
_cell_length_c [8.1918]
_... |
mp-24007 | Rb2HBrO | data_[Rb4H2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1370]
_cell_length_b [4.542... |
mp-1218875 | Sr2(AlAg)5 | data_[Sr2Al5Ag5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5111]
_cell_length_b [5.5143]
_cell_length_c [10.0302]
_c... |
mp-3103 | Nb4AlC3 | data_[Nb8Al2C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 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 [3.1604]
_cell_length_b [3.1604]
_cell_length_c [24.3654]
... |
mp-1113009 | Cs2LiPrF6 | data_[Cs8Li4Pr4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1118]
_cell_length_b [9.1... |
mp-772156 | ErAsO4 | data_[Er4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.0978]
_cell_length_b [7.0978]
_cell_length_c [6.3303]
... |
mp-1224088 | Ho(AlFe)6 | data_[Ho2Al12Fe12]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9944]
_cell_length_b [8.4862]
_cell_length_c [8.6522]
_... |
mp-1220320 | Nd2Al3Ga | data_[Nd6Al9Ga3]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6659]
_cell_length_b [5.6659]
_cell_length_c [13.9652]
_c... |
mp-1226797 | Ce2ZrO6 | data_[Ce2Zr1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8099]
_cell_length_b [3.8099]
_cell_length_c [9.2165]
_cel... |
mp-972448 | SmBS3 | data_[Sm4B4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.4454]
_cell_length_b [6.0486]
_cell_length_c [8.8798]
_cel... |
mp-1225065 | FeCu2GeS4 | data_[Fe2Cu4Ge2S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.3127]
_cell_length_b [5.3127... |
mp-28593 | Li3BrO | data_[Li3Br1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0059]
_cell_length_b [4.0059]
_cell_length_c [4.0059]
_cel... |
mp-752916 | Li4V3(FeO5)2 | data_[Li4V3Fe2O10]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1537]
_cell_length_b [5.1994]
... |
mp-1223960 | K(Nb3S4)2 | data_[K1Nb6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.7135]
_cell_length_b [9.7135]
_cell_length_c [3.4272]
_cell_an... |
mp-569509 | Er2Co7 | data_[Er12Co42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9390]
_cell_length_b [4.9390]
_cell_length_c [36.0515]
_cell_angle_alpha [90.0000]
_cel... |
mp-1185296 | Li3Yb | data_[Li6Yb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8289]
_cell_length_b [6.8289]
_cell_length_c [5.2504]
_cell_angle_alpha [90.0000]
_ce... |
mp-1039304 | 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 [C2/m]
_cell_length_a [11.4759]
_cell_length_b [3.2100]
_cell_length_c [8.3403]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217680 | Tb2AgPd | data_[Tb2Ag1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5333]
_cell_length_b [3.5333]
_cell_length_c [7.4840]
_... |
mp-10795 | TaTlS3 | data_[Ta4Tl4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4271]
_cell_length_b [3.5235]
_cell_length_c [14.7247]
_ce... |
mp-1106010 | Lu2Co3Si5 | data_[Lu8Co12Si20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.5293]
_cell_length_b [11.0920]
_cell_length_c [5.4809]
... |
mp-505155 | UCr5P3 | data_[U2Cr10P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7805]
_cell_length_b [3.7297]
_cell_length_c [9.4982]
_cel... |
mp-977380 | LiMg2Pd | data_[Li4Mg8Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4883]
_cell_length_b [6.4883]
_cell_length_c [6.4883]
_c... |
mp-1518778 | BaSrTbWO6 | data_[Ba2Sr2Tb2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Tb 1.1000 1.7500 0.9815
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-21136 | Ce3Ni2B2N3 | data_[Ce6Ni4B4N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5766]
_cell_length_b [3.576... |
mp-526 | CaTl3 | data_[Ca1Tl3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8962]
_cell_length_b [4.8962]
_cell_length_c [4.8962]
_cell_angle_alpha [90.0000]
_cell_... |
mp-6977 | Be3N2 | data_[Be6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8484]
_cell_length_b [2.8484]
_cell_length_c [9.7650]
_cell_angle_alpha [90.0000]
_cell... |
mp-23278 | NpCl3 | data_[Np2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.4425]
_cell_length_b [7.4425]
_cell_length_c [4.3086]
_cell_angle_alpha [90.0000]
_cell... |
mp-1104604 | Na2SrSn4 | data_[Na8Sr4Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.3349]
_cell_length_b [6.7364]
_cell_length_c [6.6594]
_... |
mp-1216572 | V5Cr5Ge6 | data_[V10Cr10Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3961]
_cell_length_b [4.8174]
_cell_length_c [9.4610]
_ce... |
mp-20705 | U2SnRu2 | data_[U4Sn2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5701]
_cell_length_b [7.5701]
_cell_length_c [3.5088]
_ce... |
mp-1207036 | Dy2Ni2Sn | data_[Dy4Ni4Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2771]
_cell_length_b [5.7269]
_cell_length_c [8.2370]
_ce... |
mp-37498 | Li5NCl2 | data_[Li10N2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7590]
_cell_length_b [3.6593]
_cell_length_c [9.2491]
_cel... |
mp-1223753 | Ir(N2Cl3)2 | data_[Ir2N8Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.7827]
_cell_length_b [7.7827]
_cell_length_c [10.9539]
_ce... |
mp-1104289 | LuB12 | data_[Lu4B48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4580]
_cell_length_b [7.4580]
_cell_length_c [7.4580]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-989566 | Rb2InGaF6 | data_[Rb8In4Ga4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
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 [9.0959]
_cell_length_b [9.0... |
mp-1223673 | InSn3Se4 | data_[In1Sn3Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5810]
_cell_length_b [4.1061]
_cell_length_c [11.7640]
_cel... |
mp-1183191 | AlCuRh2 | data_[Al4Cu4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9831]
_cell_length_b [5.9831]
_cell_length_c [5.9831]
_c... |
mp-28007 | BaHgS2 | data_[Ba4Hg4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2891]
_cell_length_b [14.6263]
_cell_length_c [7.4600]
_c... |
mp-756452 | SmDyO3 | data_[Sm4Dy4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0592]
_cell_length_b [8.4775]
_cell_length_c [5.8019]
_cel... |
mvc-3277 | ZnFePO5 | data_[Zn2Fe2P2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4692]
_cell_length_b [5.4873]
... |
mp-1185574 | Eu2Mn2O5 | data_[Eu2Mn2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9602]
_cell_length_b [3.9602]
_cell_length_c [7.6694]
_ce... |
mp-1186939 | Sc2CoPt | data_[Sc8Co4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4600]
_cell_length_b [6.4600]
_cell_length_c [6.4600]
_c... |
mp-1223136 | La8(BiPb)3 | data_[La16Bi6Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.0078]
_cell_length_b [9.8935]
_cell_length_c [9.8703]
_ce... |
mp-569558 | AlAu2 | data_[Al4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8703]
_cell_length_b [3.2780]
_cell_length_c [9.0828]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1070510 | Y2BiO2 | data_[Y4Bi2O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9080]
_cell_length_b [3.9080]
_cell_length_c [13.6217]
_cel... |
mp-10925 | Pr2Se2O | data_[Pr8Se8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9490]
_cell_length_b [7.4107]
_cell_length_c [7.4227]
_ce... |
mp-6368 | CsSO2F | data_[Cs4S4O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2360]
_cell_length_b [6.7815]
_... |
mp-12764 | SmC2 | data_[Sm2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7786]
_cell_length_b [3.7786]
_cell_length_c [6.3771]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20194 | CeO2 | data_[Ce4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4675]
_cell_length_b [5.4675]
_cell_length_c [5.4675]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-555860 | EuTiClO3 | data_[Eu4Ti4Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8630]
_cell_length_b [3.92... |
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