Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1112649 | Cs3ScBr6 | data_[Cs12Sc4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1541]
_cell_length_b [12.1541]
_cell_length_c [12.154... |
mp-1023593 | Mg15Sn | data_[Mg15Sn1]
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 [P-6m2]
_cell_length_a [6.3682]
_cell_length_b [6.3682]
_cell_length_c [10.4726]
_cell_angle_alpha [90.0000]
_cel... |
mp-1206209 | TbIn5Co | data_[Tb1In5Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5919]
_cell_length_b [4.5919]
_cell_length_c [7.5057]
_... |
mp-1189748 | Lu2Te3 | data_[Lu32Te48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.5823]
_cell_length_b [12.1022]
_cell_length_c [25.7974]
_cell_angle_alpha [90.0000]
_ce... |
mp-989644 | Cs2NaCaCl6 | data_[Cs8Na4Ca4Cl24]
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
Ca 1.0000 1.8000 1.1400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9588]
_cell_length_b [... |
mp-865833 | LaYbZn2 | data_[La4Yb4Zn8]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4000]
_cell_length_b [7.4000]
_cell_length_c [7.4000]
_c... |
mp-14951 | Rb3AlO3 | data_[Rb12Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3373]
_cell_length_b [11.6543]
_cell_length_c [6.8965]
_c... |
mp-1221382 | Mn5Fe5Si6 | data_[Mn10Fe10Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6420]
_cell_length_b [11.8333]
_cell_length_c [6.7253]... |
mp-1209082 | RbYSeCl2O3 | data_[Rb2Y2Se2Cl4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [... |
mp-1114612 | Rb2YTlBr6 | data_[Rb8Y4Tl4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.9865]
_cell_length_b [11... |
mp-1232369 | MgCdTe2 | data_[Mg4Cd4Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.5617]
_cell_length_b [6.5617]
_cell_length_c [13.1547]
_... |
mp-1224304 | HfTa2VC4 | data_[Hf3Ta6V3C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1525]
_cell_length_b [3.1525]... |
mp-1185001 | Li2AcAl | data_[Li8Ac4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1965]
_cell_length_b [7.1965]
_cell_length_c [7.1965]
_c... |
mp-1520955 | Eu2FeSnO6 | data_[Eu8Fe4Sn4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0213]
_cell_length_b [8.0... |
mp-1087495 | Tc3B | data_[Tc12B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9169]
_cell_length_b [9.2771]
_cell_length_c [7.2614]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-2738 | DyNi | data_[Dy4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0331]
_cell_length_b [4.1695]
_cell_length_c [5.4225]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-977162 | NaTl2Pb | data_[Na4Tl8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8679]
_cell_length_b [7.8679]
_cell_length_c [7.8679]
_c... |
mp-1218204 | SrLaZnRuO6 | data_[Sr2La2Zn2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-12648 | Ti2Be17 | data_[Ti6Be51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3364]
_cell_length_b [7.3364]
_cell_length_c [10.7330]
_cell_angle_alpha [90.0000]
_cell... |
mp-865367 | Tm2NiRu | data_[Tm8Ni4Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6983]
_cell_length_b [6.6983]
_cell_length_c [6.6983]
_c... |
mp-861912 | TaTiTc2 | data_[Ta4Ti4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3037]
_cell_length_b [6.3037]
_cell_length_c [6.3037]
_c... |
mp-1183753 | CeHoIn2 | data_[Ce4Ho4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5931]
_cell_length_b [7.5931]
_cell_length_c [7.5931]
_c... |
mp-23013 | U(ClO)2 | data_[U4Cl8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0944]
_cell_length_b [8.4947]
_cell_length_c [8.7477]
_cell_a... |
mp-972623 | SmHgAu2 | data_[Sm4Hg4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1009]
_cell_length_b [7.1009]
_cell_length_c [7.1009]
_c... |
mp-779287 | La2HgO4 | data_[La8Hg4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1933]
_cell_length_b [3.9467]
_cell_length_c [10.4716]
_c... |
mp-998554 | KAgCl3 | data_[K1Ag1Cl3]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.1337]
_cell_length_b [5.1337]
_cell_length_c [5.1400]
_cell... |
mp-616220 | Rb3(Cu4Se3)2 | data_[Rb6Cu16Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6325]
_cell_length_b [4.0177]
_cell_length_c [10.2947]... |
mp-1232308 | K2Zn3Se4 | data_[K8Zn12Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.0321]
_cell_length_b [11.5262]
_cell_length_c [13.9739]
_... |
mp-1188825 | Dy2Si5Rh3 | data_[Dy8Si20Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1403]
_cell_length_b [11.8094]
_cell_length_c [5.6931]... |
mp-1017548 | Ca(BeP)2 | data_[Ca1Be2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7439]
_cell_length_b [3.7439]
_cell_length_c [6.6161]
_cel... |
mp-2266 | YbAg | data_[Yb1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6438]
_cell_length_b [3.6438]
_cell_length_c [3.6438]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22188 | DyCuSn | data_[Dy2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5423]
_cell_length_b [4.5423]
_cell_length_c [7.2850]
_... |
mp-1219053 | SmEuS2 | data_[Sm1Eu1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0860]
_cell_length_b [4.0860]
_cell_length_c [5.7672]
_ce... |
mp-1221731 | Mn3CrP4 | data_[Mn3Cr1P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2554]
_cell_length_b [3.1268]
_cell_length_c [5.9092]
_cell_a... |
mp-11437 | Er3Rh | data_[Er12Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1176]
_cell_length_b [9.3531]
_cell_length_c [6.2618]
_cell_angle_alpha [90.0000]
_cell_... |
mp-568940 | Y(NiP)2 | data_[Y2Ni4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [3.8871]
_cell_length_b [3.8871]
_cell_length_c [9.4118]
_cell... |
mp-672267 | Ce(SnPt)2 | data_[Ce2Sn4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6306]
_cell_length_b [4.6306]
_cell_length_c [10.5864]
... |
mp-1025447 | TlCu4Se3 | data_[Tl1Cu4Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8670]
_cell_length_b [3.8670]
_cell_length_c [10.1310]
... |
mp-675342 | NdPb4F11 | data_[Nd2Pb8F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1165]
_cell_length_b [4.2247]
_cell_length_c [17.6488]
_cell... |
mp-1217272 | TeAsIr | data_[Te4As4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.2466]
_cell_length_b [6.2466]
_cell_length_c [6.2466]
_c... |
mp-1078234 | BaGe3 | data_[Ba2Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8567]
_cell_length_b [6.8567]
_cell_length_c [5.2619]
_cell_angle_alpha [90.0000]
_ce... |
mp-23189 | BI3 | data_[B2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.4024]
_cell_length_b [7.4024]
_cell_length_c [8.8347]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1232268 | Cr2AgS4 | data_[Cr4Ag2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8112]
_cell_length_b [3.4778]
_cell_length_c [5.9075]
_cel... |
mp-19783 | GdAg2 | data_[Gd2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7594]
_cell_length_b [3.7594]
_cell_length_c [9.3967]
_cell_angle_alpha [90.0000]
_cell... |
mp-1101892 | CeAs2 | data_[Ce4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0842]
_cell_length_b [3.9945]
_cell_length_c [9.8407]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1217690 | Tb2ZrAl9 | data_[Tb2Zr1Al9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2232]
_cell_length_b [4.2232]
_cell_length_c [12.6299]
... |
mp-13436 | PrMgNi4 | data_[Pr4Mg4Ni16]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1478]
_cell_length_b [7.1478]
_cell_length_c [7.1478]
_... |
mp-3141 | ErInRh | data_[Er3In3Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4996]
_cell_length_b [7.4996]
_cell_length_c [3.9155]
_c... |
mp-1105722 | CeTi2O6 | data_[Ce4Ti8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7039]
_cell_length_b [8.6722]
_cell_length_c [5.1847]
_ce... |
mp-569624 | HfCr2 | data_[Hf4Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0388]
_cell_length_b [5.0388]
_cell_length_c [8.0951]
_cell_angle_alpha [90.0000]
_ce... |
mp-1206011 | Tb2NiGe6 | data_[Tb4Ni2Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0598]
_cell_length_b [4.0246]
_cell_length_c [21.4238]
_... |
mp-1040472 | KWO3 | data_[K1W1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0171]
_cell_length_b [4.0171]
_cell_length_c [4.0171]
_cell_an... |
mp-1077263 | TiS2 | data_[Ti4S8]
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 [C2/m]
_cell_length_a [5.9181]
_cell_length_b [3.4166]
_cell_length_c [17.3300]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1223714 | K5Sb4 | data_[K10Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5384]
_cell_length_b [5.5320]
_cell_length_c [11.3935]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-13133 | K2TiO3 | data_[K8Ti4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.1940]
_cell_length_b [7.0362]
_cell_length_c [5.5134]
_cell... |
mp-1079641 | TiCrAs | data_[Ti3Cr3As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6250]
_cell_length_b [6.6250]
_cell_length_c [3.3318]
_c... |
mp-1186606 | PmLuIn2 | data_[Pm4Lu4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5708]
_cell_length_b [7.5708]
_cell_length_c [7.5708]
_c... |
mp-32880 | CuBr | data_[Cu2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0951]
_cell_length_b [4.0951]
_cell_length_c [5.5327]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105928 | Cs2Hg3H2I8O | data_[Cs4Hg6H4I16O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.... |
mp-1189284 | CaV4(CoO4)3 | data_[Ca2V8Co6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4540]
_cell_length_b [7.4540... |
mp-1211342 | KSc(SO4)2 | data_[K2Sc2S4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
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 [8.5410]
_cell_length_b [5.3690]
... |
mp-10442 | Eu(Cu2As)2 | data_[Eu3Cu12As6]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1690]
_cell_length_b [4.1690]
_cell_length_c [23.0057]
_... |
mp-6500 | KRb2ScF6 | data_[K2Rb4Sc2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4466]
_cell_length_b [6.51... |
mp-6676 | Sr2HoRuO6 | data_[Sr4Ho2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ho 1.2300 1.7500 1.0410
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8052]
_cell_length_b [5.... |
mp-1079323 | HfSiOs | data_[Hf3Si3Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6368]
_cell_length_b [6.6368]
_cell_length_c [3.7318]
_c... |
mp-999450 | NaSmSe2 | data_[Na3Sm3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2336]
_cell_length_b [4.2336]
_cell_length_c [20.9350]
_c... |
mp-22794 | TmGeRh | data_[Tm4Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8511]
_cell_length_b [4.2874]
_cell_length_c [7.5410]
_ce... |
mp-1221563 | MnV(Fe2Si)2 | data_[Mn3V3Fe12Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9712]
_cell_length_b [3.97... |
mp-625472 | Tm(HO)3 | data_[Tm2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [6.3009]
_cell_length_b [6.3009]
_cell_length_c [3.4531]
_cell... |
mp-571189 | NaHf2CuSe5 | data_[Na4Hf8Cu4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7938]
_cell_length_b [13... |
mp-995190 | KCaSiHO4 | data_[K2Ca2Si2H2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
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 [5... |
mp-1187950 | Yb2ZnIr | data_[Yb8Zn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8902]
_cell_length_b [6.8902]
_cell_length_c [6.8902]
_c... |
mp-1102693 | ZrGeMo | data_[Zr4Ge4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0721]
_cell_length_b [3.5959]
_cell_length_c [8.3592]
_ce... |
mp-18127 | Sr(Ni2Sn)2 | data_[Sr4Ni16Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8861]
_cell_length_b [7.8861]
_cell_length_c [7.8047]
... |
mp-1174215 | Li4Mn3CoO8 | data_[Li4Mn3Co1O8]
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 [P-1]
_cell_length_a [3.0830]
_cell_length_b [6.1072... |
mp-1211237 | LaAs2Pd3 | data_[La6As12Pd18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9128]
_cell_length_b [4.2002]
_cell_length_c [10.1392]... |
mp-1239131 | HfCrCuS4 | data_[Hf2Cr2Cu2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
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 [P2/m]
_cell_length_a [6.0374]
_cell_length_b [3.573... |
mp-567336 | CdI2 | data_[Cd4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3329]
_cell_length_b [4.3329]
_cell_length_c [29.6400]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1184581 | HfMnIr2 | data_[Hf4Mn4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mn 1.5500 1.4000 0.8775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3584]
_cell_length_b [6.3584]
_cell_length_c [6.3584]
_c... |
mp-626701 | Mn(HO)2 | data_[Mn2H4O4]
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 [C2]
_cell_length_a [5.8480]
_cell_length_b [3.3756]
_cell_length_c [4.7961]
_cell_ang... |
mvc-7913 | Cu3(SbO3)4 | data_[Cu6Sb8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Im-3]
_cell_length_a [7.6994]
_cell_length_b [7.6994]
_cell_length_c [7.6994]
_cel... |
mp-1222351 | LiFeF6 | data_[Li2Fe2F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7383]
_cell_length_b [4.7383]
_cell_length_c [8.7217]
_c... |
mp-763316 | Mn3O5F | data_[Mn6O10F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.0077]
_cell_length_b [4.5357]
_cell_length_c [13.5999]
_ce... |
mp-865163 | HfBeRh2 | data_[Hf4Be4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Be 1.5700 1.0500 0.5900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1419]
_cell_length_b [6.1419]
_cell_length_c [6.1419]
_c... |
mvc-11840 | V4(CuO4)3 | data_[V8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.2852]
_cell_length_b [7.2852]
_cell_length_c [7.2852]
_cell_... |
mp-18986 | Ba2MgWO6 | data_[Ba8Mg4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2364]
_cell_length_b [8.236... |
mp-1087473 | LuZnPd | data_[Lu3Zn3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2529]
_cell_length_b [7.2529]
_cell_length_c [3.7826]
_c... |
mp-551806 | CoTeMoO6 | data_[Co2Te2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [5.1161]
_cell_length_b [... |
mp-867327 | Hf2TcRu | data_[Hf8Tc4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4996]
_cell_length_b [6.4996]
_cell_length_c [6.4996]
_c... |
mp-983312 | TmLuRu2 | data_[Tm4Lu4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6894]
_cell_length_b [6.6894]
_cell_length_c [6.6894]
_c... |
mp-1186229 | NbRu3 | data_[Nb2Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6041]
_cell_length_b [5.6041]
_cell_length_c [4.3904]
_cell_angle_alpha [90.0000]
_ce... |
mp-974059 | LiDyIn2 | data_[Li4Dy4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2684]
_cell_length_b [7.2684]
_cell_length_c [7.2684]
_c... |
mp-1078537 | PrLuS3 | data_[Pr4Lu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Lu 1.2700 1.7500 1.0010
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8926]
_cell_length_b [12.6051]
_cell_length_c [9.5224]
_ce... |
mp-1104302 | La(Ni2Sn)2 | data_[La4Ni16Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7703]
_cell_length_b [7.7703]
_cell_length_c [7.9264]
... |
mp-1215899 | YTh | data_[Y3Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5622]
_cell_length_b [3.5622]
_cell_length_c [17.4906]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1189165 | Ce3Cu3Sb4 | data_[Ce12Cu12Sb16]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.7269]
_cell_length_b [9.7269]
_cell_length_c [9.7269]... |
mp-971920 | TmMg3 | data_[Tm2Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6275]
_cell_length_b [6.6275]
_cell_length_c [5.1730]
_cell_angle_alpha [90.0000]
_ce... |
mp-4785 | CeAl3Pd2 | data_[Ce1Al3Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4459]
_cell_length_b [5.4459]
_cell_length_c [4.2570]
_... |
mp-641 | As2S3 | data_[As8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6006]
_cell_length_b [11.0070]
_cell_length_c [12.2598]
_cell_angle_alpha [90.0000]
_cel... |
mp-1185891 | MgIn | data_[Mg2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.1199]
_cell_length_b [3.5931]
_cell_length_c [5.1560]
_cell_angle_alpha [90.0000]
_cell_a... |
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