Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-3271 | Ti3AlC | data_[Ti3Al1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1811]
_cell_length_b [4.1811]
_cell_length_c [4.1811]
_cel... |
mp-4198 | Ag3PO4 | data_[Ag6P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-43n]
_cell_length_a [6.1159]
_cell_length_b [6.1159]
_cell_length_c [6.1159]
_cell_... |
mp-1225316 | DyAlCu4 | data_[Dy1Al1Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.1595]
_cell_length_b [5.1595]
_cell_length_c [4.0455]
_c... |
mp-1222853 | LaGa3Cu | data_[La2Ga6Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
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 [4.2688]
_cell_length_b [4.2688]
_cell_length_c [10.6275]
_... |
mp-849511 | VO2 | data_[V5O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3655]
_cell_length_b [5.4169]
_cell_length_c [7.2392]
_cell_angle_alpha [82.6027]
_cell_angle... |
mp-8116 | K(MoS)3 | data_[K2Mo6S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.0010]
_cell_length_b [9.0010]
_cell_length_c [4.4553]
_cell... |
mp-754379 | Mn3(O2F)2 | data_[Mn6O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6419]
_cell_length_b [5.5686]
_cell_length_c [7.6355]
_cell_an... |
mp-505589 | BaYFeCuO5 | data_[Ba1Y1Fe1Cu1O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
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 [P4mm]
_cell_length_a ... |
mp-1909 | LaMg2 | data_[La8Mg16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.7824]
_cell_length_b [8.7824]
_cell_length_c [8.7824]
_cell_angle_alpha [90.0000]
_cell... |
mp-1104829 | Nb5SnSe8 | data_[Nb10Sn2Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6991]
_cell_length_b [3.4592]
_cell_length_c [9.4133]
... |
mp-626 | La4Rh3 | data_[La16Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.0240]
_cell_length_b [9.0240]
_cell_length_c [9.0240]
_cell_angle_alpha [90.0000]
_cel... |
mp-21853 | SmIn2Ir | data_[Sm4In8Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3879]
_cell_length_b [10.3198]
_cell_length_c [8.0934]
_c... |
mp-1186223 | NbFeRu2 | data_[Nb4Fe4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1373]
_cell_length_b [6.1373]
_cell_length_c [6.1373]
_c... |
mp-1184005 | GaCuNi2 | data_[Ga4Cu4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7203]
_cell_length_b [5.7203]
_cell_length_c [5.7203]
_c... |
mp-1048 | TiNi | data_[Ti2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.9155]
_cell_length_b [4.0550]
_cell_length_c [4.7541]
_cell_angle_alpha [90.0000]
_cell... |
mp-570590 | CdBiSe2Br | data_[Cd4Bi4Se8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2070]
_cell_length_b [4.... |
mp-1188805 | Tb3Co11B4 | data_[Tb3Co11B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0363]
_cell_length_b [5.0363]
_cell_length_c [9.7640]
_c... |
mp-1184375 | EuAu3 | data_[Eu2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7960]
_cell_length_b [4.7960]
_cell_length_c [7.6849]
_cell_angle_alpha [90.0000]
_cell... |
mp-6980 | ScCuS2 | data_[Sc1Cu1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7511]
_cell_length_b [3.7511]
_cell_length_c [6.0144]
_cell... |
mp-1217287 | TeRuSe | data_[Te4Ru4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.2461]
_cell_length_b [6.2461]
_cell_length_c [6.2461]
_c... |
mp-7980 | Ba3SrTa2O9 | data_[Ba3Sr1Ta2O9]
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
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0219]
_cell_length_b [6.02... |
mp-31492 | CeGaNi | data_[Ce3Ga3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.8944]
_cell_length_b [6.8944]
_cell_length_c [3.9953]
_c... |
mp-1215546 | YbCdIn | data_[Yb2Cd2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9951]
_cell_length_b [4.9951]
_cell_length_c [7.4369]
_c... |
mp-1216004 | YTh(BRh)8 | data_[Y1Th1B8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.3630]
_cell_length_b [5.3630... |
mp-989560 | Cs2TlSiH6 | data_[Cs8Tl4Si4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9789]
_cell_length_b [8.9... |
mp-1208852 | Sn4Rh | data_[Sn12Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [6.8657]
_cell_length_b [6.8657]
_cell_length_c [8.7974]
_cell_angle_alpha [90.0000]
_cel... |
mp-15931 | NdCrS3 | data_[Nd4Cr4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8037]
_cell_length_b [3.7901]
_cell_length_c [13.0409]
_ce... |
mp-1147714 | P2S3 | data_[P8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6310]
_cell_length_b [10.4789]
_cell_length_c [11.6351]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1025249 | Sm2Re2Si2C | data_[Sm4Re4Si4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0742]
_cell_length_b [4.03... |
mp-1220017 | NdNb4O12 | data_[Nd2Nb8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9571]
_cell_length_b [7.8565]
_cell_length_c [7.9355]
_cel... |
mp-1209714 | Pr6OsBr10 | data_[Pr6Os1Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7352]
_cell_length_b [9.4748]
_cell_length_c [9.7818]
_ce... |
mp-1102986 | CeSb2 | data_[Ce8Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.3049]
_cell_length_b [6.2070]
_cell_length_c [17.7880]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184865 | HoScZn2 | data_[Ho4Sc4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9507]
_cell_length_b [6.9507]
_cell_length_c [6.9507]
_c... |
mp-1206128 | Th2N2O | data_[Th2N2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9546]
_cell_length_b [3.9546]
_cell_length_c [6.0005]
_cell_... |
mp-1078792 | U(GePt)2 | data_[U2Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2996]
_cell_length_b [4.2996]
_cell_length_c [10.1742]
_c... |
mp-989400 | Rb2NaGaF6 | data_[Rb8Na4Ga4F24]
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
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 [8.5691]
_cell_length_b [8.5... |
mp-1184969 | Li2AgGe | data_[Li8Ag4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2652]
_cell_length_b [6.2652]
_cell_length_c [6.2652]
_c... |
mp-10037 | AlCo3C | data_[Al1Co3C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7229]
_cell_length_b [3.7229]
_cell_length_c [3.7229]
_cel... |
mp-5632 | DyAsO4 | data_[Dy4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
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 [7.1536]
_cell_length_b [7.1536]
_cell_length_c [6.3610]
... |
mp-5819 | Pr(NiGe)2 | data_[Pr2Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1631]
_cell_length_b [4.1631]
_cell_length_c [9.8995]
_... |
mp-1217607 | TbBO3 | data_[Tb4B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [8.5838]
_cell_length_b [6.6625]
_cell_length_c [4.3134]
_cell_... |
mp-1111248 | K2LiPrCl6 | data_[K8Li4Pr4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6156]
_cell_length_b [10... |
mp-1219650 | Rb2ZnI4 | data_[Rb4Zn2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.8627]
_cell_length_b [8.4122]
_cell_length_c [10.5991]
_cel... |
mp-11115 | RbCuPdSe5 | data_[Rb2Cu2Pd2Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3799]
_cell_length_b [... |
mp-22716 | LiCu2P | data_[Li2Cu4P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0252]
_cell_length_b [4.0252]
_cell_length_c [7.4820]
_cel... |
mp-1214314 | BaTi(AsO4)2 | data_[Ba2Ti2As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
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 [8.6106]
_cell_length_b [5.50... |
mp-759573 | Mn6O5F7 | data_[Mn6O5F7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6800]
_cell_length_b [5.6797]
_cell_length_c [7.3840]
_cell_ang... |
mp-505143 | Pu(SiIr)2 | data_[Pu2Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1070]
_cell_length_b [4.1070]
_cell_length_c [9.8874]
_... |
mp-2706 | SnF4 | data_[Sn2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1584]
_cell_length_b [4.1584]
_cell_length_c [8.3675]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-555874 | LiAsS2 | data_[Li4As4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [12.0071]
_cell_length_b [5.4359]
_cell_length_c [5.3903]
_cell_... |
mp-1112679 | Cs2LiNdBr6 | data_[Cs8Li4Nd4Br24]
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
Nd 1.1400 1.8500 1.2765
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3712]
_cell_length_b [... |
mp-1114504 | Rb3YBr6 | data_[Rb12Y4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1119]
_cell_length_b [12.1119]
_cell_length_c [12.1119]... |
mp-1186516 | Pm3Ho | data_[Pm6Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1125]
_cell_length_b [5.1125]
_cell_length_c [10.3231]
_cell_angle_alpha [90.0000]
_cel... |
mp-556108 | DyTiClO3 | data_[Dy4Ti4Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
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 [9.8415]
_cell_length_b [3.92... |
mp-1095467 | Tm2Si2O7 | data_[Tm4Si4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8298]
_cell_length_b [8.9434]
_cell_length_c [4.7649]
_cel... |
mp-1224466 | HfAlCr | data_[Hf8Al8Cr8]
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
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4862]
_cell_length_b [5.1336]
_cell_length_c [8.8736]
_ce... |
mp-7347 | La(BRu)4 | data_[La2B8Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.5926]
_cell_length_b [7.5926]
_cell_length_c [4.0189]
_ce... |
mp-30623 | Dy5Sn3 | data_[Dy10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9683]
_cell_length_b [8.9683]
_cell_length_c [6.5686]
_cell_angle_alpha [90.0000]
_c... |
mp-1186755 | SrTaO3 | data_[Sr1Ta1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0669]
_cell_length_b [4.0669]
_cell_length_c [4.0669]
_cel... |
mp-4174 | HoNiSb | data_[Ho4Ni4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3305]
_cell_length_b [6.3305]
_cell_length_c [6.3305]
_c... |
mp-571053 | Al5Mo | data_[Al30Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [4.9571]
_cell_length_b [4.9571]
_cell_length_c [26.2298]
_cell_angle_alpha [90.0000]
_cell... |
mp-1094606 | Mg5Ga | data_[Mg5Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.4338]
_cell_length_b [5.4338]
_cell_length_c [5.0684]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1077179 | As2W | data_[As8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1645]
_cell_length_b [3.3463]
_cell_length_c [7.8044]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-754321 | Li4V3CrO8 | data_[Li4V3Cr1O8]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1966]
_cell_length_b [5.9723]... |
mp-607298 | Cs2Pd(ICl2)2 | data_[Cs4Pd2I4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3937]
_cell_length_b [8.3... |
mp-30722 | ScHg3 | data_[Sc2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4919]
_cell_length_b [6.4919]
_cell_length_c [4.8971]
_cell_angle_alpha [90.0000]
_ce... |
mp-5739 | U2SN2 | data_[U2S1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8136]
_cell_length_b [3.8136]
_cell_length_c [6.5530]
_cell_an... |
mp-1402 | SmNi2 | data_[Sm8Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.2443]
_cell_length_b [7.2443]
_cell_length_c [7.2443]
_cell_angle_alpha [90.0000]
_cell... |
mp-7524 | NbPSe | data_[Nb4P4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4793]
_cell_length_b [4.8604]
_cell_length_c [12.6005]
_cel... |
mp-1080672 | Th(BRu)2 | data_[Th8B16Ru16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.5338]
_cell_length_b [9.0707]
_cell_length_c [10.1589]
_c... |
mp-1102033 | ErAsSe | data_[Er4As4Se4]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.4662]
_cell_length_b [3.8864]
_cell_length_c [3.9000]
_c... |
mp-569384 | PrMgSi2 | data_[Pr8Mg8Si16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.2850]
_cell_length_b [4.2850]
_cell_length_c [36.860... |
mp-1224982 | GdTm(FeNi4)2 | data_[Gd1Tm1Fe2Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9319]
_cell_length_b [4.9... |
mp-571651 | TiSe | data_[Ti4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4960]
_cell_length_b [3.4809]
_cell_length_c [6.2594]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1103964 | Er5Ir2 | data_[Er20Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.5300]
_cell_length_b [6.4636]
_cell_length_c [7.1617]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206478 | Eu(MgP)2 | data_[Eu1Mg2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3293]
_cell_length_b [4.3293]
_cell_length_c [7.1931]
_cel... |
mp-1186314 | NdHg3 | data_[Nd2Hg6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7857]
_cell_length_b [6.7857]
_cell_length_c [5.1082]
_cell_angle_alpha [90.0000]
_ce... |
mp-1027383 | Te4Mo3WS4 | data_[Te4Mo3W1S4]
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 [3.3554]
_cell_length_b [3.3554]... |
mp-865836 | YbPaRh2 | data_[Yb4Pa4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pa 1.5000 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8092]
_cell_length_b [6.8092]
_cell_length_c [6.8092]
_c... |
mp-1104677 | Cd(Mo3S4)2 | data_[Cd3Mo18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.4875]
_cell_length_b [9.4875]
_cell_length_c [10.8699]
_ce... |
mp-1521 | Sb7Mo3 | data_[Sb28Mo12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.6647]
_cell_length_b [9.6647]
_cell_length_c [9.6647]
_cell_angle_alpha [90.0000]
_cel... |
mp-1220752 | Nb10(SiB)3 | data_[Nb40Si12B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.9679]
_cell_length_b [11.7527]
_cell_length_c [9.0325]
_... |
mp-753047 | LiCoNiO4 | data_[Li4Co4Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.6344]
_cell_length_b [5.73... |
mp-1221491 | Mo2RuSe4 | data_[Mo4Ru2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7352]
_cell_length_b [6.7504]
_cell_length_c [6.7614]
_cell... |
mp-1225909 | Dy2Fe15Co2C | data_[Dy4Fe30Co4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5881]
_cell_length_b [8.58... |
mp-1215298 | ZrTaFe4 | data_[Zr2Ta2Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9126]
_cell_length_b [4.9126]
_cell_length_c [7.9888]
_c... |
mp-972183 | ZrGaPd2 | data_[Zr4Ga4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4721]
_cell_length_b [6.4721]
_cell_length_c [6.4721]
_c... |
mp-1223357 | KRb(Fe2S3)2 | data_[K2Rb2Fe8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1776]
_cell_length_b [8.9776... |
mp-1184227 | ErMg2Sc | data_[Er4Mg8Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3663]
_cell_length_b [7.3663]
_cell_length_c [7.3663]
_c... |
mp-10933 | Nd2TeS2 | data_[Nd2Te1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6587]
_cell_length_b [4.6587]
_cell_length_c [7.7732]
_cel... |
mp-13939 | Sr2ErReO6 | data_[Sr8Er4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Er 1.2400 1.7500 1.0300
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3160]
_cell_length_b [8.3... |
mp-1208021 | TlSO4 | data_[Tl6S6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [5.0301]
_cell_length_b [5.0301]
_cell_length_c [26.3107]
_cell_... |
mp-1222253 | LuZnCuAs2 | data_[Lu1Zn1Cu1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0883]
_cell_length_b [4.0... |
mp-134 | Al | data_[Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.0389]
_cell_length_b [4.0389]
_cell_length_c [4.0389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1112887 | Cs2InSbCl6 | data_[Cs8In4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3421]
_cell_length_b [... |
mp-1187944 | Yb2ZnGe | data_[Yb8Zn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1920]
_cell_length_b [7.1920]
_cell_length_c [7.1920]
_c... |
mp-1602 | SiS2 | data_[Si4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.2143]
_cell_length_b [10.9268]
_cell_length_c [5.5852]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1025281 | Ti2NiSe4 | data_[Ti4Ni2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3557]
_cell_length_b [3.5922]
_cell_length_c [6.1708]
_c... |
mp-30717 | KHg2 | data_[K4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2988]
_cell_length_b [8.2360]
_cell_length_c [9.4414]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1219184 | Sm2CdSb4 | data_[Sm2Cd1Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3518]
_cell_length_b [4.3518]
_cell_length_c [10.7579]
_... |
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