Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-555455 | BaYMn2O6 | data_[Ba4Y4Mn8O24]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9434]
_cell_length_b [7.8013... |
mp-1094172 | La3Mg | data_[La6Mg2]
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 [Imm2]
_cell_length_a [3.7072]
_cell_length_b [11.6699]
_cell_length_c [6.2750]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1030247 | Te6MoW3S2 | data_[Te6Mo1W3S2]
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 [3.4514]
_cell_length_b [3.4514]... |
mp-1113058 | Cs2KErCl6 | data_[Cs8K4Er4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Er 1.2400 1.7500 1.0300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3032]
_cell_length_b [11... |
mp-675511 | Sm2PbS4 | data_[Sm8Pb4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.6303]
_cell_length_b [8.6303]
_cell_length_c [8.6083]
_ce... |
mp-567191 | CaAlSi | data_[Ca5Al5Si5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2065]
_cell_length_b [4.2065]
_cell_length_c [21.7822]
_... |
mp-15617 | Cr5B3 | data_[Cr20B12]
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
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.4407]
_cell_length_b [5.4407]
_cell_length_c [9.9607]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105069 | La2Sn5 | data_[La8Sn20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7062]
_cell_length_b [35.6536]
_cell_length_c [4.7432]
_cell_angle_alpha [90.0000]
_cell... |
mp-6332 | Li2TiSiO5 | data_[Li4Ti2Si2O10]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.4766]
_cell_length_b [6.... |
mp-5951 | CeMnNi4 | data_[Ce4Mn4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9341]
_cell_length_b [6.9341]
_cell_length_c [6.9341]
_... |
mp-7087 | SiO2 | data_[Si4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2762]
_cell_length_b [5.2762]
_cell_length_c [8.6120]
_cell_angle_alpha [90.0000]
_cell... |
mp-1094802 | MgSn3 | data_[Mg1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7234]
_cell_length_b [4.7234]
_cell_length_c [4.7234]
_cell_angle_alpha [90.0000]
_cell_... |
mp-557179 | NaSbS2 | data_[Na4Sb4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8688]
_cell_length_b [5.5881]
_cell_length_c [5.9423]
_cel... |
mp-1184458 | GdYRh2 | data_[Gd4Y4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9161]
_cell_length_b [6.9161]
_cell_length_c [6.9161]
_cel... |
mp-1210062 | NaNdCoWO6 | data_[Na2Nd2Co2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a... |
mp-4037 | TmNiC2 | data_[Tm2Ni2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.5056]
_cell_length_b [4.5020]
_cell_length_c [5.9629]
_cell... |
mp-674310 | Cr4Cu3Se8 | data_[Cr8Cu6Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.4466]
_cell_length_b [7.5012]
_cell_length_c [10.6340]
_... |
mp-1213059 | Eu2Cu(GeO3)4 | data_[Eu2Cu1Ge4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
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 [P-1]
_cell_length_a [4.9652]
_cell_length_b [7.412... |
mp-20969 | NpSb | data_[Np4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2305]
_cell_length_b [6.2305]
_cell_length_c [6.2305]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1224703 | Fe2AsS3 | data_[Fe2As1S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6744]
_cell_length_b [3.3201]
_cell_length_c [5.5669]
_cell_a... |
mp-715550 | MoO2 | data_[Mo2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.7861]
_cell_length_b [4.8281]
_cell_length_c [3.1711]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-989628 | YReN3 | data_[Y8Re8N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2319]
_cell_length_b [9.7488]
_cell_length_c [6.3348]
_cell... |
mp-1205997 | NaUF6 | data_[Na4U4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8522]
_cell_length_b [8.8522]
_cell_length_c [8.8522]
_cell... |
mp-505222 | CdInBr3 | data_[Cd4In4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.6009]
_cell_length_b [4.1991]
_cell_length_c [15.6811]
_... |
mp-867264 | Re3Os | data_[Re6Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5649]
_cell_length_b [5.5649]
_cell_length_c [4.4381]
_cell_angle_alpha [90.0000]
_ce... |
mp-1025489 | SmSi | data_[Sm4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1598]
_cell_length_b [3.9017]
_cell_length_c [5.8425]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-555900 | Nb2Tl5S4Cl9 | data_[Nb4Tl10S8Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.2131]
_cell_length_b [9.7... |
mp-625521 | H3BrO | data_[H6Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Cm]
_cell_length_a [6.9728]
_cell_length_b [4.9524]
_cell_length_c [4.4298]
_cell_ang... |
mp-28122 | LiGdCl4 | data_[Li4Gd4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [6.5203]
_cell_length_b [6.5203]
_cell_length_c [13.2737]... |
mp-560151 | AlPO4 | data_[Al3P3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_422]
_cell_length_a [5.1606]
_cell_length_b [5.1606]
_cell_length_c [11.3609]
_ce... |
mp-1183646 | Cd3Ga | data_[Cd6Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3571]
_cell_length_b [4.3571]
_cell_length_c [9.4005]
_cell_angle_alpha [90.0000]
_cell... |
mp-570097 | Sr(Li2P)2 | data_[Sr3Li12P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2950]
_cell_length_b [4.2950]
_cell_length_c [23.5631]
_ce... |
mp-26252 | VP2O7 | data_[V2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.5673]
_cell_length_b [7.9231]
_cell_length_c [4.5458]
_cell_angl... |
mp-1205354 | Sc2Se3 | data_[Sc32Se48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.7788]
_cell_length_b [10.8923]
_cell_length_c [23.1442]
_cell_angle_alpha [90.0000]
_ce... |
mp-1218421 | Sr3FeMoO7 | data_[Sr6Fe2Mo2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0366]
_cell_length_b [4.03... |
mp-999376 | NbPt | data_[Nb2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.6485]
_cell_length_b [2.8297]
_cell_length_c [5.0506]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1212797 | Eu4Ti3O10 | data_[Eu8Ti6O20]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9394]
_cell_length_b [3.9394]
_cell_length_c [27.9263]
_... |
mp-1215244 | ZrNb2Pd9 | data_[Zr2Nb4Pd18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9709]
_cell_length_b [3.9709]
_cell_length_c [24.3901]... |
mp-1222205 | Mg(IO3)2 | data_[Mg1I2O6]
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 [P3]
_cell_length_a [5.6483]
_cell_length_b [5.6483]
_cell_length_c [5.0238]
_cell_ang... |
mp-640108 | Ce2InNi2 | data_[Ce4In2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5312]
_cell_length_b [7.5312]
_cell_length_c [3.6590]
_... |
mp-760501 | TiGa2O5 | data_[Ti4Ga8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6610]
_cell_length_b [9.9349]
_cell_length_c [10.0888]
_ce... |
mp-27499 | BaTeS3 | data_[Ba4Te4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4954]
_cell_length_b [7.0073]
_cell_length_c [11.2103]
_ce... |
mp-5967 | TiCoSb | data_[Ti4Co4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8936]
_cell_length_b [5.8936]
_cell_length_c [5.8936]
_c... |
mp-1226732 | Ce2TeSe | data_[Ce2Te1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3385]
_cell_length_b [4.3385]
_cell_length_c [6.1336]
_... |
mp-33312 | Nd2UTe4 | data_[Nd8U4Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.4904]
_cell_length_b [9.4904]
_cell_length_c [9.4452]
_ce... |
mp-15141 | NaZr2ZnF11 | data_[Na2Zr4Zn2F22]
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
Zn 1.6500 1.3500 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2562]
_cell_length_b [6.83... |
mp-1215609 | ZnGa11Co4 | data_[Zn1Ga11Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2412]
_cell_length_b [6.4106]
_cell_length_c [6.3052]
_c... |
mp-1207106 | Ce(AlSi)2 | data_[Ce1Al2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2107]
_cell_length_b [4.2107]
_cell_length_c [6.8220]
_c... |
mp-11832 | Cs | data_[Cs2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5123]
_cell_length_b [5.5123]
_cell_length_c [8.8941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1222368 | LiVMoO6 | data_[Li2V2Mo2O12]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4649]
_cell_length_b [3.7180]
... |
mp-1217214 | TiAlCu | data_[Ti8Al8Cu8]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0914]
_cell_length_b [5.0882]
_cell_length_c [8.5977]
_ce... |
mp-21027 | CaIn2Pt | data_[Ca4In8Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4518]
_cell_length_b [10.5323]
_cell_length_c [7.9582]
_c... |
mp-1017627 | Lu3AlN | data_[Lu3Al1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6373]
_cell_length_b [4.6373]
_cell_length_c [4.6373]
_cel... |
mp-672322 | Eu3(B3Rh4)2 | data_[Eu12B24Rh32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5642]
_cell_length_b [9.8525]
_cell_length_c [17.1891]
_... |
mp-1205956 | Lu2CoGe6 | data_[Lu4Co2Ge12]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0296]
_cell_length_b [3.9557]
_cell_length_c [21.2802]
_... |
mp-7535 | Li5AlO4 | data_[Li10Al2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.3662]
_cell_length_b [6.4831]
_cell_length_c [4.6696]
_cel... |
mp-28532 | CrInBr3 | data_[Cr4In4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.2959]
_cell_length_b [15.1551]
_cell_length_c [9.5324]... |
mp-1220444 | Nb6CdS8 | data_[Nb6Cd1S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.7115]
_cell_length_b [9.7115]
_cell_length_c [3.3803]
_cell_... |
mp-1245773 | Ca2RuN2 | data_[Ca4Ru2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6239]
_cell_length_b [3.6239]
_cell_length_c [12.3512]
_c... |
mp-10165 | KAlTe2 | data_[K4Al4Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7534]
_cell_length_b [8.7534]
_cell_length_c [7.0181]
_ce... |
mp-1039393 | CaMg2 | data_[Ca4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.7334]
_cell_length_b [5.7918]
_cell_length_c [5.4234]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1227275 | Be4AlCu | data_[Be16Al4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1212]
_cell_length_b [6.1212]
_cell_length_c [6.1212]
_... |
mp-570217 | Tm(SiOs)2 | data_[Tm2Si4Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1789]
_cell_length_b [4.1789]
_cell_length_c [9.5518]
_... |
mp-1206052 | Ce2SnPd2 | data_[Ce4Sn2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8104]
_cell_length_b [7.8104]
_cell_length_c [3.8108]
_... |
mp-1227412 | BeAlSiN3 | data_[Be4Al4Si4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.9151]
_cell_length_b [5.1459... |
mp-1220117 | NdUTe6 | data_[Nd2U2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3916]
_cell_length_b [4.3948]
_cell_length_c [25.8169]
_ce... |
mp-1219671 | PuUN2 | data_[Pu1U1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4297]
_cell_length_b [3.4297]
_cell_length_c [4.8956]
_cell... |
mp-3400 | Lu(MnGe)6 | data_[Lu1Mn6Ge6]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1603]
_cell_length_b [5.1603]
_cell_length_c [8.1221]
_... |
mp-1523280 | BaEuZrNbO6 | data_[Ba4Eu4Zr4Nb4O24]
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
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1218683 | Sr2TaMnO6 | data_[Sr8Ta4Mn4O24]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0350]
_cell_length_b [8.0... |
mp-22855 | HgCl2 | data_[Hg4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.5844]
_cell_length_b [6.6037]
_cell_length_c [4.3673]
_cell_angle_alpha [90.0000]
_cell_... |
mp-755216 | TmBiO3 | data_[Tm6Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.9495]
_cell_length_b [5.9495]
_cell_length_c [15.0892]
_cel... |
mp-1207251 | Rb3Bi2 | data_[Rb12Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9186]
_cell_length_b [10.2569]
_cell_length_c [9.9383]
_cell_angle_alpha [90.0000]
_cell... |
mp-1228991 | As3Pd4Pb | data_[As6Pd8Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9357]
_cell_length_b [12.1840]
_cell_length_c [6.2772]
_c... |
mp-1217128 | Ti4WC5 | data_[Ti12W3C15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0662]
_cell_length_b [3.0662]
_cell_length_c [37.7472]
_cel... |
mp-1018646 | YbH3Pd | data_[Yb1H3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6987]
_cell_length_b [3.6987]
_cell_length_c [3.6987]
_cel... |
mp-1217085 | TiMn(Ni2Sn)2 | data_[Ti3Mn3Ni12Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3089]
_cell_length_b [4.... |
mp-1183234 | AcSe3 | data_[Ac2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3510]
_cell_length_b [4.3510]
_cell_length_c [10.8683]
_cell_angle_alpha [90.0000]
_cel... |
mp-21320 | UGaNi | data_[U3Ga3Ni3]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5893]
_cell_length_b [6.5893]
_cell_length_c [4.0833]
_cel... |
mp-865113 | NaNdAu2 | data_[Na4Nd4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2279]
_cell_length_b [7.2279]
_cell_length_c [7.2279]
_c... |
mp-768844 | Li2Mn3CrO8 | data_[Li6Mn9Cr3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
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 [5.9339]
_cell_length_b [5.93... |
mp-13323 | Ba2EuNbO6 | data_[Ba4Eu2Nb2O12]
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
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0728]
_cell_length_b [6.07... |
mp-1206126 | Nd(PPd)2 | data_[Nd2P4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1650]
_cell_length_b [4.1650]
_cell_length_c [10.0001]
_c... |
mp-12878 | Sr2YSbO6 | data_[Sr4Y2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8667]
_cell_length_b [5.93... |
mp-1239219 | TaCr3(CuS4)2 | data_[Ta2Cr6Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.9954]
_cell_length_b [7.129... |
mp-1218855 | Sr2AlGa3 | data_[Sr2Al1Ga3]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4032]
_cell_length_b [4.4032]
_cell_length_c [9.5173]
_c... |
mp-1189357 | Cs3LiBr4 | data_[Cs12Li4Br16]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [11.7144]
_cell_length_b [14.1687]
_cell_length_c [8.349... |
mp-1206521 | La(MgSi)2 | data_[La1Mg2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3077]
_cell_length_b [4.3077]
_cell_length_c [5.8446]
_... |
mp-998420 | KCrCl3 | data_[K1Cr1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.9779]
_cell_length_b [4.9779]
_cell_length_c [4.9706]
_cell... |
mp-1228828 | AsHPbO4 | data_[As2H2Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.9887]
_cell_length_b [6.8801]
_... |
mp-5557 | ThB4Mo | data_[Th4B16Mo4]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.5114]
_cell_length_b [9.6260]
_cell_length_c [3.7848]
_cel... |
mp-759541 | Ba(PdO2)2 | data_[Ba4Pd8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [6.3771]
_cell_length_b [6.3771]
_cell_length_c [10.4569]
_... |
mp-1638841 | CaLaVCrO6 | data_[Ca2La2V2Cr2O12]
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
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 [Pc]
_cell_length_a [... |
mp-1025283 | PrIn5Rh | data_[Pr1In5Rh1]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7169]
_cell_length_b [4.7169]
_cell_length_c [7.6519]
_... |
mp-2156 | TiS2 | data_[Ti1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4170]
_cell_length_b [3.4170]
_cell_length_c [6.4190]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-980191 | BaSrYb2 | data_[Ba4Sr4Yb8]
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
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2362]
_cell_length_b [9.2362]
_cell_length_c [9.2362]
_c... |
mp-625359 | NdHO2 | data_[Nd2H2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.3572]
_cell_length_b [3.8526]
_cell_length_c [6.2933]
_cell_a... |
mp-1094735 | Ca3Mg | data_[Ca6Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2594]
_cell_length_b [5.2594]
_cell_length_c [10.5646]
_cell_angle_alpha [90.0000]
_cel... |
mp-1185055 | Hf2InNi2 | data_[Hf8In4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.2017]
_cell_length_b [7.2017]
_cell_length_c [6.5508]... |
mp-1179251 | Sr2CaMoO6 | data_[Sr4Ca2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.8919]
_cell_length_b [8.35... |
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