Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1188469 | La5Ge3 | data_[La10Ge6]
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
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.0786]
_cell_length_b [9.0786]
_cell_length_c [6.8856]
_cell_angle_alpha [90.0000]
_c... |
mp-1019359 | ThSbSe | data_[Th2Sb2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2906]
_cell_length_b [4.2906]
_cell_length_c [8.7983]
_... |
mp-20133 | NbCrN | data_[Nb2Cr2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.0368]
_cell_length_b [3.0368]
_cell_length_c [7.4251]
_ce... |
mp-9198 | Fe(SiP)4 | data_[Fe1Si4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8925]
_cell_length_b [5.5602]
_cell_length_c [6.0890]
_cell_a... |
mp-1218456 | Sr4NbCoO8 | data_[Sr8Nb2Co2O16]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6318]
_cell_length_b [12.8... |
mp-546757 | Sn3PO4F3 | data_[Sn9P3O12F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [12.1698]
_cell_length_b [12.1698]
... |
mp-1187524 | TbGdIr2 | data_[Tb4Gd4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Gd 1.2000 1.8000 1.0750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9259]
_cell_length_b [6.9259]
_cell_length_c [6.9259]
_c... |
mp-1187486 | Tl3Sb | data_[Tl3Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9926]
_cell_length_b [4.9926]
_cell_length_c [4.9926]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1080107 | UCo | data_[U8Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [6.3122]
_cell_length_b [6.3122]
_cell_length_c [6.3122]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-754139 | Li2Cr3TeO8 | data_[Li6Cr9Te3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0192]
_cell_length_b [6.01... |
mp-985831 | HfSe2 | data_[Hf1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7735]
_cell_length_b [3.7735]
_cell_length_c [6.9285]
_cell_angle_alpha [90.0000]
_cell_... |
mvc-8050 | MgCu(GeO3)2 | data_[Mg4Cu4Ge8O24]
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
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0801]
_cell_length_b [9.3... |
mp-1187718 | Y2CuOs | data_[Y8Cu4Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8685]
_cell_length_b [6.8685]
_cell_length_c [6.8685]
_cel... |
mp-1247182 | MgTiCrS4 | data_[Mg4Ti4Cr4S16]
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
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1965]
_cell_length_b [7.38... |
mp-8347 | BaMnS2 | data_[Ba4Mn4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1949]
_cell_length_b [4.1601]
_cell_length_c [14.0244]
_cel... |
mp-10348 | LaSc3(BO3)4 | data_[La3Sc9B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.9015]
_cell_length_b [9.9015... |
mp-1003314 | KMn2O4 | data_[K1Mn2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [3.0523]
_cell_length_b [5.1618]
_cell_length_c [6.5727]
_cell_an... |
mp-20488 | CrF4 | data_[Cr4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.6244]
_cell_length_b [8.6244]
_cell_length_c [3.8636]
_cell_angle_alpha [90.0000]
_cel... |
mp-1218722 | Sr2Pr2CrNiO8 | data_[Sr4Pr4Cr2Ni2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length... |
mp-29980 | Nb4B3C2 | data_[Nb16B12C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2554]
_cell_length_b [37.8983]
_cell_length_c [3.1541]
_cel... |
mp-1207928 | U3Ga2Si3 | data_[U12Ga8Si12]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4cm]
_cell_length_a [7.5975]
_cell_length_b [7.5975]
_cell_length_c [10.8894]
_c... |
mp-768906 | YBrO | data_[Y2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8683]
_cell_length_b [3.8683]
_cell_length_c [8.7934]
_cell... |
mp-1223036 | LaB4(IrOs)2 | data_[La2B8Ir4Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4_2]
_cell_length_a [7.6872]
_cell_length_b [7.687... |
mp-867911 | ScCdPd2 | data_[Sc4Cd4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5816]
_cell_length_b [6.5816]
_cell_length_c [6.5816]
_c... |
mp-1205552 | Nd2Pd2Pb | data_[Nd4Pd4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1705]
_cell_length_b [8.1705]
_cell_length_c [3.7088]
_... |
mp-989402 | Sr6In2NF | data_[Sr24In8N4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6500]
_cell_length_b [10.6... |
mp-541912 | ZrBrN | data_[Zr6Br6N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6891]
_cell_length_b [3.6891]
_cell_length_c [30.5951]
_cel... |
mp-1215471 | Zr2HC | data_[Zr2H1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3590]
_cell_length_b [3.3590]
_cell_length_c [5.4802]
_cell_a... |
mp-569911 | Cr2B2Ir | data_[Cr16B16Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8898]
_cell_length_b [10.0937]
_cell_length_c [13.4629]
_... |
mp-13510 | Ho4In(NiGe2)2 | data_[Ho8In2Ni4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4691]
_cell_length_b [4.... |
mp-1212296 | Ho3Fe2Si3 | data_[Ho12Fe8Si12]
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 [Cmcm]
_cell_length_a [4.0680]
_cell_length_b [10.4990]
_cell_length_c [13.5620]... |
mp-675590 | Cu6BiS6 | data_[Cu6Bi1S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7999]
_cell_length_b [3.9030]
_cell_length_c [19.0907]
_cell_... |
mp-756597 | Li2HfO3 | data_[Li8Hf4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3990]
_cell_length_b [9.3181]
_cell_length_c [5.2799]
_cel... |
mp-30774 | MgNi2Sn | data_[Mg4Ni8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1643]
_cell_length_b [6.1643]
_cell_length_c [6.1643]
_c... |
mp-1186878 | Ta2Mo2O11 | data_[Ta6Mo6O33]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7112]
_cell_length_b [5.7112]
_cell_length_c [25.9879]
_ce... |
mp-1227496 | Ca2GdTaO6 | data_[Ca4Gd2Ta2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6472]
_cell_length_b [5.... |
mp-13570 | Mg(ScGa)2 | data_[Mg2Sc4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1503]
_cell_length_b [7.1503]
_cell_length_c [3.9542]
_... |
mp-1105642 | TbFe4(CuO4)3 | data_[Tb2Fe8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [7.4563]
_cell_length_b [7.45... |
mp-1183437 | BaEu2Mn2O7 | data_[Ba2Eu4Mn4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [I4/mmm]
_cell_length_a [3.9680]
_cell_length_b [3.... |
mp-1181506 | DyVSb3 | data_[Dy4V4Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.8352]
_cell_length_b [6.2553]
_cell_length_c [5.9656]
_ce... |
mp-1103360 | Rb3NiO2 | data_[Rb6Ni2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.3375]
_cell_length_b [6.3375]
_cell_length_c [7.5706]
_... |
mp-19774 | Eu(CdSb)2 | data_[Eu1Cd2Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7680]
_cell_length_b [4.7680]
_cell_length_c [7.7003]
_c... |
mp-9844 | BaAl2B2O7 | data_[Ba3Al6B6O21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [5.0541]
_cell_length_b [5.0541]... |
mp-1027379 | Te2Mo3WS6 | data_[Te2Mo3W1S6]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2723]
_cell_length_b [3.2723]... |
mp-1095583 | DyGaPt | data_[Dy4Ga4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8797]
_cell_length_b [4.4546]
_cell_length_c [7.6925]
_ce... |
mp-29751 | CsMgI3 | data_[Cs2Mg2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mg 1.3100 1.5000 0.8600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.3773]
_cell_length_b [8.3773]
_cell_length_c [7.1207]
_... |
mp-1147560 | KY(CuO2)2 | data_[K1Y1Cu2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8806]
_cell_length_b [3.8806]... |
mp-756244 | CaEu2O3 | data_[Ca4Eu8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Eu 1.2000 1.8500 1.1985
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.1391]
_cell_length_b [10.6856]
_cell_length_c [6.1224]
_ce... |
mp-1221955 | MgInGaO4 | data_[Mg3In3Ga3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3857]
_cell_length_b [3.385... |
mp-1103143 | SmAsPt | data_[Sm4As4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3318]
_cell_length_b [4.3318]
_cell_length_c [15.8887... |
mp-841 | Li2O2 | data_[Li4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1804]
_cell_length_b [3.1804]
_cell_length_c [7.7035]
_cell_angle_alpha [90.0000]
_cell... |
mp-1205744 | Y2MgGa2 | data_[Y4Mg2Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4494]
_cell_length_b [7.4494]
_cell_length_c [4.2488]
_ce... |
mp-30980 | NaYO2 | data_[Na8Y8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6899]
_cell_length_b [13.3218]
_cell_length_c [5.9963]
_cell... |
mp-7476 | RbDyO2 | data_[Rb3Dy3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Dy 1.2200 1.7500 1.1310
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5128]
_cell_length_b [3.5128]
_cell_length_c [19.6902]
_cel... |
mp-558441 | NaZr2VF11 | data_[Na2Zr4V2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3386]
_cell_length_b [6.8892... |
mp-19136 | TbFe3(BO3)4 | data_[Tb3Fe9B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.6379]
_cell_length_b [9.6379... |
mp-11674 | Al2Se3 | data_[Al8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.9591]
_cell_length_b [6.8468]
_cell_length_c [7.4351]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1183614 | CaCeZn2 | data_[Ca4Ce4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2950]
_cell_length_b [7.2950]
_cell_length_c [7.2950]
_c... |
mp-862795 | CaLaAg2 | data_[Ca4La4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5562]
_cell_length_b [7.5562]
_cell_length_c [7.5562]
_c... |
mp-978846 | SnI2 | data_[Sn2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.6307]
_cell_length_b [7.6307]
_cell_length_c [4.6958]
_cell_angle_alpha [90.0000]
_cell... |
mp-2610 | Tb5Ge3 | data_[Tb10Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5604]
_cell_length_b [8.5604]
_cell_length_c [6.4646]
_cell_angle_alpha [90.0000]
_c... |
mvc-14163 | CaMoF5 | data_[Ca4Mo4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4450]
_cell_length_b [6.8788]
_cell_length_c [7.9764]
_cel... |
mp-777398 | Co6OF11 | data_[Co12O2F22]
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 [Amm2]
_cell_length_a [3.2060]
_cell_length_b [6.7594]
_cell_length_c [19.8884]
_cel... |
mp-546679 | Nd2AlNO3 | data_[Nd4Al2N2O6]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7361]
_cell_length_b [3.7361]... |
mp-1104554 | Mo6PbS8 | data_[Mo6Pb1S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5661]
_cell_length_b [6.6605]
_cell_length_c [6.6915]
_cell_... |
mp-1187604 | TmGaCu2 | data_[Tm4Ga4Cu8]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3608]
_cell_length_b [6.3608]
_cell_length_c [6.3608]
_c... |
mp-1186515 | PrCuO3 | data_[Pr1Cu1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
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 [3.8465]
_cell_length_b [3.8465]
_cell_length_c [3.8465]
_cel... |
mp-29139 | NaAuSe2 | data_[Na4Au4Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1335]
_cell_length_b [8.5950]
_cell_length_c [6.8632]
_... |
mp-31171 | Zn2AgAu | data_[Zn8Ag4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3812]
_cell_length_b [6.3812]
_cell_length_c [6.3812]
_c... |
mp-1095124 | TaCo3 | data_[Ta2Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1881]
_cell_length_b [5.1881]
_cell_length_c [4.1783]
_cell_angle_alpha [90.0000]
_ce... |
mp-1220578 | Nb5Ni(B2Ru5)2 | data_[Nb5Ni1B4Ru10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [9.3659]
_cell_length_b [9.36... |
mp-1221407 | Mn5Fe5Si6 | data_[Mn10Fe10Si12]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6952]
_cell_length_b [11.6807]
_cell_length_c [6.8843]... |
mp-19967 | LuMnSi | data_[Lu4Mn4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7922]
_cell_length_b [4.0123]
_cell_length_c [7.5300]
_ce... |
mp-976707 | H4CN2O | data_[H8C2N4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [6.2058]
_cell_length_b [6.2058]
... |
mp-561500 | Cs2NaVF6 | data_[Cs12Na6V6F36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3740]
_cell_length_b [6.374... |
mp-1217715 | Tb2Ga5Cu3 | data_[Tb2Ga5Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1371]
_cell_length_b [4.1371]
_cell_length_c [10.2597]
_... |
mp-1222926 | LaCuSi2Ni | data_[La2Cu2Si4Ni2]
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
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 [4.1340]
_cell_length_b [4.... |
mp-570930 | Bi2Pb2Se5 | data_[Bi2Pb2Se5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2778]
_cell_length_b [4.2778]
_cell_length_c [16.8745]
_... |
mp-978100 | Pr2InAg | data_[Pr8In4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7302]
_cell_length_b [7.7302]
_cell_length_c [7.7302]
_c... |
mp-8743 | HoCoSi2 | data_[Ho4Co4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9958]
_cell_length_b [16.1410]
_cell_length_c [3.9559]
_c... |
mp-800 | TmB2 | data_[Tm1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.2636]
_cell_length_b [3.2636]
_cell_length_c [3.7659]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-8121 | SmCuSi | data_[Sm2Cu2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1910]
_cell_length_b [4.1910]
_cell_length_c [7.7472]... |
mp-1001024 | Y2MgS4 | data_[Y16Mg8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.1858]
_cell_length_b [11.1858]
_cell_length_c [11.1858]
_... |
mp-3879 | Ba2CuF6 | data_[Ba8Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.0198]
_cell_length_b [5.9363]
_cell_length_c [6.0687]
_ce... |
mp-1189965 | TiH8(NF3)2 | data_[Ti1H8N2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [P-3m1]
_cell_length_a [6.0808]
_cell_length_b [6.0808]
... |
mp-2096 | YbMg2 | data_[Yb4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2498]
_cell_length_b [6.2498]
_cell_length_c [9.9740]
_cell_angle_alpha [90.0000]
_ce... |
mp-1103146 | TmBPt2 | data_[Tm3B3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.3120]
_cell_length_b [5.3120]
_cell_length_c [7.9389]
_ce... |
mp-21171 | MnGaCo2 | data_[Mn4Ga4Co8]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7258]
_cell_length_b [5.7258]
_cell_length_c [5.7258]
_c... |
mp-1112188 | K2AlInF6 | data_[K8Al4In4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8782]
_cell_length_b [8.878... |
mp-568964 | La3MgBi5 | data_[La6Mg2Bi10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.8670]
_cell_length_b [9.8670]
_cell_length_c [6.6118... |
mp-1101862 | NaBH4 | data_[Na2B2H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-42_1c]
_cell_length_a [4.3269]
_cell_length_b [4.3269]
_cell_length_c [5.8889]
_cel... |
mp-1227717 | Ca2In3Cu | data_[Ca4In6Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2664]
_cell_length_b [4.7710]
_cell_length_c [7.5794]
_cel... |
mp-1217949 | TaNb2FeSe10 | data_[Ta1Nb2Fe1Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.6920]
_cell_length_b [3.54... |
mp-38322 | Mg(IO3)2 | data_[Mg2I4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.5581]
_cell_length_b [5.3144]
_cell_length_c [9.5051]
_cell_... |
mp-504640 | U3Ni3Sb4 | data_[U12Ni12Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.3826]
_cell_length_b [9.3826]
_cell_length_c [9.3826]
_... |
mp-753013 | Co3TeO8 | data_[Co9Te3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9449]
_cell_length_b [5.9449]
_cell_length_c [14.5532]
_ce... |
mp-867351 | Tc | data_[Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.7645]
_cell_length_b [2.7645]
_cell_length_c [8.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-570880 | RuCl3 | data_[Ru4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6756]
_cell_length_b [11.3081]
_cell_length_c [6.5931]
_cell_angle_alpha [90.0000]
_cell... |
mp-1185418 | LiZnPt2 | data_[Li4Zn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [6.0506]
_cell_length_b [6.0506]
_cell_length_c [6.0506]
_c... |
mp-975275 | RbNa2Sb | data_[Rb4Na8Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9679]
_cell_length_b [7.9679]
_cell_length_c [7.9679]
_c... |
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