Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-977407 | Hf2ReRh | data_[Hf8Re4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5448]
_cell_length_b [6.5448]
_cell_length_c [6.5448]
_c... |
mp-31440 | LuZrSb | data_[Lu4Zr4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2614]
_cell_length_b [4.2614]
_cell_length_c [16.2971]
... |
mp-24728 | VH2 | data_[V4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.2149]
_cell_length_b [4.2149]
_cell_length_c [4.2149]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1209968 | NaHoCl4 | data_[Na2Ho2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6555]
_cell_length_b [6.7453]
_cell_length_c [7.0420]
_cel... |
mp-865794 | LaYbHg2 | data_[La4Yb4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Yb 1.1000 1.7500 1.0840
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6816]
_cell_length_b [7.6816]
_cell_length_c [7.6816]
_c... |
mp-1062676 | K2Pt | data_[K8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6602]
_cell_length_b [7.6602]
_cell_length_c [7.6602]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-753557 | Li2CuSbO5 | data_[Li4Cu2Sb2O10]
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
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1421]
_cell_length_b [5.5708... |
mp-862719 | LiY2Os | data_[Li4Y8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9588]
_cell_length_b [6.9588]
_cell_length_c [6.9588]
_cel... |
mp-27369 | RbGeCl3 | data_[Rb2Ge2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9144]
_cell_length_b [7.1964]
_cell_length_c [8.3614]
_... |
mp-19336 | Nd2MnCoO6 | data_[Nd4Mn2Co2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.8775
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 [5.4519]
_cell_length_b [5.... |
mp-1222851 | LaGdN2 | data_[La3Gd3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6377]
_cell_length_b [3.6377]
_cell_length_c [17.8913]
_cel... |
mp-1180149 | NaV2O5 | data_[Na2V4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.7267]
_cell_length_b [5.0616]
_cell_length_c [11.7197]
_ce... |
mp-1188393 | Ga3Re | data_[Ga12Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.5535]
_cell_length_b [6.5535]
_cell_length_c [7.0990]
_cell_angle_alpha [90.0000]
_c... |
mp-1227099 | CaYTi2O6 | data_[Ca2Y2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7174]
_cell_length_b [5.58... |
mp-1227145 | CaPrCrO4 | data_[Ca4Pr4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4502]
_cell_length_b [12... |
mp-571474 | Sm4Sn3 | data_[Sm16Sn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.5019]
_cell_length_b [9.5019]
_cell_length_c [9.5019]
_cell_angle_alpha [90.0000]
_cel... |
mp-1106381 | NaAs | data_[Na8As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3027]
_cell_length_b [5.9604]
_cell_length_c [11.6703]
_cell_angle_alpha [90.0000]
_cel... |
mp-1079841 | Pr(GePt)2 | data_[Pr2Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.4065]
_cell_length_b [10.0831]
_cell_length_c [4.3965]
... |
mp-3893 | Tb(CoB)2 | data_[Tb2Co4B4]
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 [I4/mmm]
_cell_length_a [3.5552]
_cell_length_b [3.5552]
_cell_length_c [9.4644]
_ce... |
mp-1112005 | Cs2RbTmCl6 | data_[Cs8Rb4Tm4Cl24]
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
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4874]
_cell_length_b [... |
mp-1112462 | K2AgIrF6 | data_[K8Ag4Ir4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8286]
_cell_length_b [8.828... |
mp-753937 | Ho2V2O7 | data_[Ho4V4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6622]
_cell_length_b [9.4996]
_cell_length_c [5.2430]
_cell_... |
mp-1181041 | HoWC2 | data_[Ho4W4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7157]
_cell_length_b [3.3658]
_cell_length_c [10.7908]
_cell_... |
mp-1078703 | NaZn4As3 | data_[Na3Zn12As9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1992]
_cell_length_b [4.1992]
_cell_length_c [32.8865]
_... |
mp-21201 | LaGa3Pd2 | data_[La1Ga3Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4796]
_cell_length_b [5.4796]
_cell_length_c [4.3228]
_... |
mp-644226 | BaH2C2O5 | data_[Ba4H8C8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
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 [10.3267]
_cell_length_b [8.0129]... |
mp-16329 | ErSbPt | data_[Er4Sb4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5814]
_cell_length_b [6.5814]
_cell_length_c [6.5814]
_c... |
mp-28306 | MnBr2 | data_[Mn1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8980]
_cell_length_b [3.8980]
_cell_length_c [7.0835]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105614 | NdScS3 | data_[Nd4Sc4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1701]
_cell_length_b [9.6094]
_cell_length_c [6.5155]
_cel... |
mp-1018107 | ZrTe2 | data_[Zr1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9842]
_cell_length_b [3.9842]
_cell_length_c [6.9956]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1173649 | NaNi2H3(SO5)2 | data_[Na2Ni4H6S4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [... |
mp-1080116 | SmCuSb2 | data_[Sm2Cu2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3371]
_cell_length_b [4.3371]
_cell_length_c [10.0248]
... |
mp-1188397 | Pr2MgIrO6 | data_[Pr4Mg2Ir2O12]
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
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5471]
_cell_length_b [5.... |
mp-1076439 | Ba2Co2O5 | data_[Ba8Co8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [17.4317]
_cell_length_b [5.6912]
_cell_length_c [5.6575]
_ce... |
mp-862699 | ScTaOs2 | data_[Sc4Ta4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3934]
_cell_length_b [6.3934]
_cell_length_c [6.3934]
_c... |
mp-1222092 | Mn12Rh4N | data_[Mn12Rh4N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Rh 2.2800 1.3500 0.7450
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1179]
_cell_length_b [5.2247]
_cell_length_c [9.0378]
_cel... |
mp-1218052 | Ta5Nb5Si6 | data_[Ta10Nb10Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.2237]
_cell_length_b [5.1021]
_cell_length_c [10.0599]
... |
mp-767955 | Li3Fe2(NiO4)2 | data_[Li3Fe2Ni2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
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 [5.8427]
_cell_length_b [5.8670... |
mp-18708 | Fe3P | data_[Fe24P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.0453]
_cell_length_b [9.0453]
_cell_length_c [4.3876]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1071127 | Ca2GePd3 | data_[Ca6Ge3Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6614]
_cell_length_b [5.6614]
_cell_length_c [12.4792]
_c... |
mp-1219479 | Sb4Se3SI4 | data_[Sb4Se3S1I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.1182]
_cell_length_b [4.1772]
_... |
mp-1223589 | La2CuSn4 | data_[La4Cu2Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5715]
_cell_length_b [4.6530]
_cell_length_c [17.7853]
_c... |
mp-27362 | Nb(SCl)2 | data_[Nb4S8Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3779]
_cell_length_b [11.2121]
_cell_length_c [7.4138]
_cel... |
mp-1210979 | Li3CeGa8 | data_[Li3Ce1Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.1608]
_cell_length_b [9.1608]
_cell_length_c [3.0441]
_... |
mp-22130 | Ti(FeGe)6 | data_[Ti1Fe6Ge6]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0252]
_cell_length_b [5.0252]
_cell_length_c [8.0497]
_... |
mp-569697 | Ce(NiP)2 | data_[Ce2Ni4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9419]
_cell_length_b [3.9419]
_cell_length_c [9.4765]
_ce... |
mp-1225205 | EuGaAu | data_[Eu4Ga4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7165]
_cell_length_b [4.6912]
_cell_length_c [7.5800]
_c... |
mp-1221985 | MgCdAg2 | data_[Mg1Cd1Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3093]
_cell_length_b [3.3093]
_cell_length_c [6.9669]
_... |
mp-29804 | Cr3GeC | data_[Cr12Ge4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8679]
_cell_length_b [10.2915]
_cell_length_c [7.6483]
_ce... |
mp-976280 | LiBr | data_[Li2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.1882]
_cell_length_b [4.1882]
_cell_length_c [6.8083]
_cell_angle_alpha [90.0000]
_cell... |
mp-21401 | TbSnPd | data_[Tb4Sn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2630]
_cell_length_b [4.6611]
_cell_length_c [7.9979]
_ce... |
mp-2067 | ThGa2 | data_[Th4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.2715]
_cell_length_b [4.2715]
_cell_length_c [14.7686]
_cell_angle_alpha [90.0000]
_c... |
mp-1918 | FeRh | data_[Fe1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0189]
_cell_length_b [3.0189]
_cell_length_c [3.0189]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1222791 | LaZnNi4 | data_[La1Zn1Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.1150]
_cell_length_b [5.1150]
_cell_length_c [3.9661]
_c... |
mp-545783 | BaBiO3 | data_[Ba1Bi1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4281]
_cell_length_b [4.4281]
_cell_length_c [4.4281]
_cel... |
mp-1226388 | Cr2CdSe3S | data_[Cr8Cd4Se12S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.5768]
_cell_length_b [7.62... |
mp-867199 | Pm3Tl | data_[Pm3Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9679]
_cell_length_b [4.9679]
_cell_length_c [4.9679]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30562 | Sc2Co | data_[Sc8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.3002]
_cell_length_b [6.3002]
_cell_length_c [5.6406]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186632 | PmPr | data_[Pm1Pr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6972]
_cell_length_b [3.6972]
_cell_length_c [6.0517]
_cell_angle_alpha [90.0000]
_cell_... |
mp-974642 | LiAg2Pb | data_[Li4Ag8Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8934]
_cell_length_b [6.8934]
_cell_length_c [6.8934]
_c... |
mp-1216275 | Y(InCu)6 | data_[Y2In12Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5605]
_cell_length_b [9.1146]
_cell_length_c [9.1802]
_ce... |
mp-697146 | Zn(HO)2 | data_[Zn4H8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.9629]
_cell_length_b [5.2690]
_cell_length_c [8.2700]
_... |
mp-1216862 | U2Si3Au | data_[U2Si3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8789]
_cell_length_b [4.1588]
_cell_length_c [7.2070]
_cell... |
mp-1225333 | Dy4MgS7 | data_[Dy8Mg2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6180]
_cell_length_b [3.8138]
_cell_length_c [11.5182]
_cel... |
mp-1186618 | PmNdZn2 | data_[Pm4Nd4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3350]
_cell_length_b [7.3350]
_cell_length_c [7.3350]
_c... |
mp-1068559 | LaCoSi3 | data_[La2Co2Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1729]
_cell_length_b [4.1729]
_cell_length_c [9.7049]
_ce... |
mp-1072474 | TmSe2 | data_[Tm2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0426]
_cell_length_b [4.0426]
_cell_length_c [8.2439]
_cell_angle_alpha [90.0000]
_cell... |
mp-1219113 | SmBiS3 | data_[Sm4Bi4S12]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0424]
_cell_length_b [4.0460]
_cell_length_c [10.9283]
_c... |
mp-980949 | WCl4 | data_[W4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5836]
_cell_length_b [6.5198]
_cell_length_c [8.5140]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1314324 | LiFe2O3 | data_[Li4Fe8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6318]
_cell_length_b [3.0448]
_cell_length_c [5.3080]
_ce... |
mp-1225632 | Er6Al2Ge7 | data_[Er12Al4Ge14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4574]
_cell_length_b [4.0930]
_cell_length_c [14.9920]... |
mp-978271 | Mg3Al | data_[Mg3Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3767]
_cell_length_b [4.3767]
_cell_length_c [4.3767]
_cell_angle_alpha [90.0000]
_cell_... |
mp-7944 | NaSb | data_[Na8Sb8]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8272]
_cell_length_b [6.4121]
_cell_length_c [12.5884]
_cell_angle_alpha [90.0000]
_cel... |
mp-1215475 | ZnCdS2 | data_[Zn1Cd1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0108]
_cell_length_b [4.0108]
_cell_length_c [6.6306]
_cell... |
mp-7386 | NaAgF4 | data_[Na4Ag4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.6678]
_cell_length_b [5.6678]
_cell_length_c [10.7102]
_... |
mp-1113095 | Cs2InGaI6 | data_[Cs8In4Ga4I24]
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
Ga 1.8100 1.3000 0.7600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2268]
_cell_length_b [12... |
mp-849273 | LiCoO2 | data_[Li16Co16O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.2157]
_cell_length_b [8.2157]
_cell_length_c [8.2157]
_... |
mp-27816 | Ag3BO3 | data_[Ag9B3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.1406]
_cell_length_b [10.1406]
_cell_length_c [3.3414]
_cell_... |
mp-1206752 | CeTl | data_[Ce1Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8864]
_cell_length_b [3.8864]
_cell_length_c [3.8864]
_cell_angle_alpha [90.0000]
_cell_... |
mp-867553 | Li5Mn2Co3O10 | data_[Li5Mn2Co3O10]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0886]
_cell_length_b [5.0884... |
mp-928 | HoIr2 | data_[Ho8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5684]
_cell_length_b [7.5684]
_cell_length_c [7.5684]
_cell_angle_alpha [90.0000]
_cell... |
mp-20637 | SmCuPb | data_[Sm2Cu2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.6686]
_cell_length_b [4.6686]
_cell_length_c [7.5354]
_... |
mp-1222090 | Mg6SiGe2 | data_[Mg12Si2Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5323]
_cell_length_b [6.3981]
_cell_length_c [13.5764]
_... |
mp-1226524 | CeSiNi | data_[Ce1Si1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0748]
_cell_length_b [4.0748]
_cell_length_c [3.8712]
_c... |
mp-753847 | Ca5Mn4O9 | data_[Ca10Mn8O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [17.1232]
_cell_length_b [3.3297]
_cell_length_c [9.9028]
_cel... |
mp-1185024 | LaAg3 | data_[La4Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2113]
_cell_length_b [7.2113]
_cell_length_c [7.2113]
_cell_angle_alpha [90.0000]
_cell... |
mp-1102706 | Eu3Ga8 | data_[Eu6Ga16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4147]
_cell_length_b [4.5379]
_cell_length_c [25.6230]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217888 | TaO2F | data_[Ta1O2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8890]
_cell_length_b [3.8890]
_cell_length_c [4.1091]
_cell... |
mp-1039357 | CeMg2 | data_[Ce4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1414]
_cell_length_b [17.8231]
_cell_length_c [5.1543]
_cell_angle_alpha [90.0000]
_cell_... |
mp-605839 | Li2B2Rh3 | data_[Li4B4Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.8075]
_cell_length_b [9.5773]
_cell_length_c [2.8525]
_cell... |
mp-1189490 | U4Ge6Os7 | data_[U8Ge12Os14]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.3415]
_cell_length_b [8.3415]
_cell_length_c [8.3415]
_c... |
mp-6391 | Na2ZnSiO4 | data_[Na4Zn2Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.3384]
_cell_length_b [5.5471]... |
mp-5921 | TaAlNi2 | data_[Ta4Al4Ni8]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9790]
_cell_length_b [5.9790]
_cell_length_c [5.9790]
_c... |
mp-996954 | CuPtO2 | data_[Cu1Pt1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9842]
_cell_length_b [3.1418]
_cell_length_c [5.3049]
_cell... |
mp-555112 | Li2CrF6 | data_[Li4Cr2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.6773]
_cell_length_b [4.6773]
_cell_length_c [9.0412]
... |
mp-27455 | YCl3 | data_[Y4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0086]
_cell_length_b [12.1033]
_cell_length_c [7.0662]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-14038 | Rb2NaRhF6 | data_[Rb8Na4Rh4F24]
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
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6652]
_cell_length_b [8.6... |
mp-976151 | PrErMg2 | data_[Pr4Er4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6749]
_cell_length_b [7.6749]
_cell_length_c [7.6749]
_c... |
mp-6492 | Ba2YSbO6 | data_[Ba8Y4Sb4O24]
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
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5303]
_cell_length_b [8.530... |
mp-1189085 | Er5Tl3 | data_[Er20Tl12]
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
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9899]
_cell_length_b [7.9899]
_cell_length_c [14.3195]
_cell_angle_alpha [90.0000]
_c... |
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