Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-21187 | CaIn | data_[Ca8In8]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.4385]
_cell_length_b [7.4385]
_cell_length_c [8.3327]
_cell_angle_alpha [90.0000]
_cell... |
mp-1077099 | EuZnGe | data_[Eu2Zn2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5027]
_cell_length_b [4.5027]
_cell_length_c [7.6796]
_... |
mp-862752 | SmBiPd2 | data_[Sm4Bi4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0243]
_cell_length_b [7.0243]
_cell_length_c [7.0243]
_c... |
mp-1215951 | Yb2(B2Rh3)3 | data_[Yb2B6Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6268]
_cell_length_b [5.6268]
_cell_length_c [8.5235]
_ce... |
mp-978678 | Sm(BOs)2 | data_[Sm8B16Os16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.6678]
_cell_length_b [9.0706]
_cell_length_c [9.9493]
_ce... |
mp-1003317 | Mn3HO6 | data_[Mn6H2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1710]
_cell_length_b [2.9972]
_cell_length_c [4.6256]
_cell_a... |
mp-638731 | LaCO3F | data_[La3C3O9F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2934]
_cell_length_b [7.2934]
... |
mp-1220620 | Nb3WS8 | data_[Nb9W3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3174]
_cell_length_b [3.3174]
_cell_length_c [76.4389]
_cell_... |
mp-1184572 | HfMgPt2 | data_[Hf4Mg4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5215]
_cell_length_b [6.5215]
_cell_length_c [6.5215]
_c... |
mp-989527 | Cs2NaNF6 | data_[Cs8Na4N4F24]
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
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 [8.7024]
_cell_length_b [8.702... |
mp-28890 | K2CoO2 | data_[K8Co4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6356]
_cell_length_b [9.5872]
_cell_length_c [7.0527]
_cell... |
mp-1217288 | Ti10FeSb5 | data_[Ti20Fe2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [10.5022]
_cell_length_b [10.5022]
_cell_length_c [5.2217]... |
mp-2149 | NpIr2 | data_[Np8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.4805]
_cell_length_b [7.4805]
_cell_length_c [7.4805]
_cell_angle_alpha [90.0000]
_cell... |
mp-1219330 | SiNi3Mo2 | data_[Si4Ni12Mo8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.5705]
_cell_length_b [4.7743]
_cell_length_c [8.1385]
_c... |
mp-1226496 | CrFeRhS4 | data_[Cr4Fe4Rh4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.9752]
_cell_length_b [7.08... |
mp-1029 | BaF2 | data_[Ba4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2831]
_cell_length_b [6.2831]
_cell_length_c [6.2831]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1183635 | Cd3Pd | data_[Cd6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1538]
_cell_length_b [4.1538]
_cell_length_c [9.0017]
_cell_angle_alpha [90.0000]
_cell... |
mp-569149 | K2TeCl6 | data_[K8Te4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3524]
_cell_length_b [10.3524]
_cell_length_c [10.3524]
... |
mp-976076 | NaAc2Sn | data_[Na4Ac8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2410]
_cell_length_b [8.2410]
_cell_length_c [8.2410]
_c... |
mp-1220693 | Nb2CuCS2 | data_[Nb2Cu1C1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3707]
_cell_length_b [3.3707]... |
mp-862617 | AcAl3 | data_[Ac2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9552]
_cell_length_b [6.9552]
_cell_length_c [4.6556]
_cell_angle_alpha [90.0000]
_ce... |
mp-975049 | NdSmHg2 | data_[Nd4Sm4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6438]
_cell_length_b [7.6438]
_cell_length_c [7.6438]
_c... |
mp-1223931 | K(Ti3Se4)2 | data_[K1Ti6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.9526]
_cell_length_b [9.9526]
_cell_length_c [3.5875]
_cell_... |
mp-865329 | Lu2MgTc | data_[Lu8Mg4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9977]
_cell_length_b [6.9977]
_cell_length_c [6.9977]
_c... |
mp-4744 | Ca(NiAs)2 | data_[Ca2Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0858]
_cell_length_b [4.0858]
_cell_length_c [10.0095]
... |
mp-867925 | SrAcHg2 | data_[Sr4Ac4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ac 1.1000 1.9500 1.2600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0668]
_cell_length_b [8.0668]
_cell_length_c [8.0668]
_c... |
mp-1080297 | CeSe2 | data_[Ce4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [7.1617]
_cell_length_b [6.8830]
_cell_length_c [6.9153]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217618 | TbGdAl6 | data_[Tb1Gd1Al6]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3006]
_cell_length_b [6.3006]
_cell_length_c [4.6195]
_c... |
mp-1095059 | InGaSe2 | data_[In4Ga4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.1411]
_cell_length_b [8.1411]
_cell_length_c [6.4253]
_... |
mp-1217990 | Ta2CrSi6 | data_[Ta4Cr2Si12]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [4.6669]
_cell_length_b [8.2819]
_cell_length_c [6.5109]
_c... |
mp-1219259 | SiNi3W2 | data_[Si4Ni12W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.5921]
_cell_length_b [4.7681]
_cell_length_c [8.1486]
_cel... |
mp-1187892 | Yb2H6Ru | data_[Yb8H24Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0963]
_cell_length_b [7.0963]
_cell_length_c [7.0963]
_ce... |
mp-27871 | RhBr3 | data_[Rh4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4382]
_cell_length_b [11.1523]
_cell_length_c [6.9951]
_cell_angle_alpha [90.0000]
_cell... |
mp-999472 | NaLaSe2 | data_[Na3La3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3853]
_cell_length_b [4.3853]
_cell_length_c [21.0633]
_c... |
mp-1518297 | BaEuYSbO6 | data_[Ba2Eu2Y2Sb2O12]
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
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 [P-1]
_cell_length_a ... |
mp-510439 | In2Pt3 | data_[In8Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6650]
_cell_length_b [5.6650]
_cell_length_c [13.9671]
_cell_angle_alpha [90.0000]
_... |
mp-546625 | HoBi2BrO4 | data_[Ho1Bi2Br1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9055]
_cell_length_b [3.9... |
mp-1080714 | Li2AgSn2 | data_[Li8Ag4Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.6154]
_cell_length_b [4.6154]
_cell_length_c [20.3740... |
mp-1207541 | YbMgGa4 | data_[Yb1Mg1Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3871]
_cell_length_b [4.3871]
_cell_length_c [7.0153]
_c... |
mp-13432 | Tb2AlCo2 | data_[Tb4Al2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0256]
_cell_length_b [5.4847]
_cell_length_c [8.4422]
_ce... |
mp-676020 | BaCO3 | data_[Ba4C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5242]
_cell_length_b [5.3692]
_cell_length_c [9.0615]
_cell_... |
mp-1101783 | Bi2Ir | data_[Bi8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0156]
_cell_length_b [6.8970]
_cell_length_c [7.0832]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218486 | Sr2YTlCu2O7 | data_[Sr2Y1Tl1Cu2O7]
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
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a ... |
mp-865898 | TiZnCo2 | data_[Ti4Zn4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8179]
_cell_length_b [5.8179]
_cell_length_c [5.8179]
_c... |
mp-1517204 | Sr2DyNbO6 | data_[Sr8Dy4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Dy 1.2200 1.7500 1.1310
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4460]
_cell_length_b [8.4... |
mp-1189916 | Zr5CdPb3 | data_[Zr10Cd2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9221]
_cell_length_b [8.9221]
_cell_length_c [6.0458... |
mp-760506 | PNO | data_[P12N12O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.5863]
_cell_length_b [4.6842]
_cell_length_c [8.8442]
_cell_a... |
mp-1184101 | Er2TlHg | data_[Er8Tl4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4632]
_cell_length_b [7.4632]
_cell_length_c [7.4632]
_c... |
mp-1225483 | ErIn2Sn | data_[Er1In2Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6023]
_cell_length_b [4.6023]
_cell_length_c [4.7445]
_... |
mp-2289 | CeAl4 | data_[Ce2Al8]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2369]
_cell_length_b [4.2369]
_cell_length_c [11.3565]
_cell_angle_alpha [90.0000]
_cel... |
mp-755014 | Li5Ti2Ni3O10 | data_[Li5Ti2Ni3O10]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1016]
_cell_length_b [5.136... |
mp-753195 | Li2WS4 | data_[Li4W2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.0828]
_cell_length_b [6.0828]
_cell_length_c [10.4785]
_cell... |
mp-1189099 | Mo3P | data_[Mo24P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.8579]
_cell_length_b [9.8579]
_cell_length_c [4.8476]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1112004 | Cs2RbTlCl6 | data_[Cs8Rb4Tl4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4937]
_cell_length_b [... |
mp-753031 | LiCu5F12 | data_[Li2Cu10F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.6341]
_cell_length_b [6.7429]
_cell_length_c [9.1081]
_ce... |
mp-1103387 | NdPO4 | data_[Nd4P4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.1949]
_cell_length_b [7.1949]
_cell_length_c [6.2343]
_c... |
mp-1226728 | CdAg | data_[Cd2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8057]
_cell_length_b [2.9857]
_cell_length_c [5.4870]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1218064 | TaAlFe | data_[Ta8Al8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0500]
_cell_length_b [4.9505]
_cell_length_c [8.4617]
_ce... |
mp-1104543 | Eu2GeS4 | data_[Eu4Ge2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6903]
_cell_length_b [6.7229]
_cell_length_c [8.1187]
_ce... |
mp-672292 | Gd3Se4 | data_[Gd12Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.7622]
_cell_length_b [8.7622]
_cell_length_c [8.7622]
_cell_angle_alpha [90.0000]
_cel... |
mp-980014 | TmTh3 | data_[Tm1Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0371]
_cell_length_b [5.0371]
_cell_length_c [5.0371]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1221961 | MgScAlO4 | data_[Mg3Sc3Al3O12]
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
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2685]
_cell_length_b [3.268... |
mp-568346 | HfBrN | data_[Hf2Br2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.5820]
_cell_length_b [4.1219]
_cell_length_c [9.0532]
_cell... |
mp-625320 | Al(HO)3 | data_[Al2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0629]
_cell_length_b [5.1467]
_cell_length_c [5.5966]
_cell_an... |
mp-11155 | NdMgGa | data_[Nd3Mg3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [7.4833]
_cell_length_b [7.4833]
_cell_length_c [4.5410]
_c... |
mp-19818 | Dy3PbC | data_[Dy3Pb1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9156]
_cell_length_b [4.9156]
_cell_length_c [4.9156]
_cel... |
mp-1018077 | ErGa | data_[Er4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2812]
_cell_length_b [10.7802]
_cell_length_c [4.0505]
_cell_angle_alpha [90.0000]
_cell_... |
mp-759807 | V4O5F7 | data_[V8O10F14]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.4022]
_cell_length_b [5.1812]
_cell_length_c [8.9899]
_cell_ang... |
mp-1205398 | Ce(Co2B)6 | data_[Ce3Co36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4331]
_cell_length_b [9.4331]
_cell_length_c [7.4121]
_ce... |
mp-1187639 | Tm2PdRh | data_[Tm8Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8525]
_cell_length_b [6.8525]
_cell_length_c [6.8525]
_c... |
mp-1227247 | Ca4Ti3FeO12 | data_[Ca4Ti3Fe1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4780]
_cell_length_b [5.46... |
mvc-15350 | Ca2Sn3O8 | data_[Ca4Sn6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4969]
_cell_length_b [6.4223]
_cell_length_c [5.4074]
_ce... |
mp-1104905 | TmB12 | data_[Tm4B48]
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 [Fm-3m]
_cell_length_a [7.4705]
_cell_length_b [7.4705]
_cell_length_c [7.4705]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-30377 | ErPbAu | data_[Er4Pb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8164]
_cell_length_b [6.8164]
_cell_length_c [6.8164]
_c... |
mp-866287 | DySnAu2 | data_[Dy4Sn4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0507]
_cell_length_b [7.0507]
_cell_length_c [7.0507]
_c... |
mp-507 | SiNi2 | data_[Si2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9043]
_cell_length_b [3.9043]
_cell_length_c [4.9769]
_cell_angle_alpha [90.0000]
_ce... |
mp-14019 | NiB | data_[Ni4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9498]
_cell_length_b [7.3490]
_cell_length_c [2.9718]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1211501 | KH8W(NF3)2 | data_[K4H32W4N8F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
H 2.2000 0.2500 0.0000
W 2.3600 1.3500 0.7667
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 [9.... |
mp-1219738 | PrSm3S4 | data_[Pr3Sm9S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0276]
_cell_length_b [4.0276]
_cell_length_c [39.7593]
_ce... |
mp-556597 | In3S4 | data_[In24S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.1629]
_cell_length_b [11.1629]
_cell_length_c [11.1629]
_cell_angle_alpha [90.0000]
_ce... |
mp-1206176 | Rb2NaCuF6 | data_[Rb8Na4Cu4F24]
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
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5247]
_cell_length_b [8.5... |
mp-1214816 | Al4SiC4 | data_[Al8Si2C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.2920]
_cell_length_b [3.2920]
_cell_length_c [21.8366]
_c... |
mp-4579 | LaSiRu | data_[La2Si2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2604]
_cell_length_b [4.2604]
_cell_length_c [7.1671]
_... |
mp-998964 | TiGaFeCo | data_[Ti4Ga4Fe4Co4]
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
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8142]
_cell_length_b [5.... |
mp-542915 | TiAl3 | data_[Ti2Al6]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8440]
_cell_length_b [3.8440]
_cell_length_c [8.6020]
_cell_angle_alpha [90.0000]
_cell... |
mp-1025685 | Te4Mo3Se2 | data_[Te4Mo3Se2]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4787]
_cell_length_b [3.4787]
_cell_length_c [31.9872]
_... |
mp-20172 | ErMnGe | data_[Er4Mn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0017]
_cell_length_b [4.0690]
_cell_length_c [7.9151]
_ce... |
mp-753131 | Li3Ti4O8 | data_[Li6Ti8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2195]
_cell_length_b [5.8070]
_cell_length_c [5.7995]
_ce... |
mp-569743 | Ti4MnBi2 | data_[Ti16Mn4Bi8]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.5472]
_cell_length_b [10.5472]
_cell_length_c [4.9745... |
mp-1077418 | USbPd | data_[U2Sb2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6620]
_cell_length_b [4.6620]
_cell_length_c [7.3129]
_... |
mp-675325 | Al(Ag3S2)3 | data_[Al1Ag9S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6763]
_cell_length_b [7.7917]
_cell_length_c [7.9322]
_cell_a... |
mp-761 | CeCu5 | data_[Ce1Cu5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0724]
_cell_length_b [5.0724]
_cell_length_c [4.1135]
_cell_angle_alpha [90.0000]
_cell... |
mp-1011696 | Cs2Se | data_[Cs8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0958]
_cell_length_b [5.6242]
_cell_length_c [10.9989]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184824 | HoLuAl2 | data_[Ho4Lu4Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0928]
_cell_length_b [7.0928]
_cell_length_c [7.0928]
_c... |
mp-19767 | DyCoSi | data_[Dy4Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9427]
_cell_length_b [4.1965]
_cell_length_c [6.8378]
_ce... |
mp-1225998 | CoPt | data_[Co3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7115]
_cell_length_b [2.7115]
_cell_length_c [12.8850]
_cell_angle_alpha [90.0000]
_cell_... |
mp-863669 | Pm2CuPt | data_[Pm8Cu4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1497]
_cell_length_b [7.1497]
_cell_length_c [7.1497]
_c... |
mp-20273 | Ca3PbO | data_[Ca3Pb1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8835]
_cell_length_b [4.8835]
_cell_length_c [4.8835]
_cel... |
mp-1105064 | Mg(SiNi)6 | data_[Mg1Si6Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9017]
_cell_length_b [4.9017]
_cell_length_c [7.6126]
_... |
mp-1080723 | HfCuGeAs | data_[Hf2Cu2Ge2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7329]
_cell_length_b [3... |
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