Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1102455 | DyNiGe | data_[Dy4Ni4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9157]
_cell_length_b [4.2252]
_cell_length_c [7.2882]
_ce... |
mp-1184794 | IrRh3 | data_[Ir2Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8505]
_cell_length_b [3.8505]
_cell_length_c [7.7285]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186705 | Pr3Dy | data_[Pr3Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1930]
_cell_length_b [5.1930]
_cell_length_c [5.1930]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1029660 | Ca4ZrN4 | data_[Ca8Zr2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1558]
_cell_length_b [6.1567]
_cell_length_c [9.3445]
_cell_... |
mp-1216348 | VCrMo | data_[V4Cr4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.0179]
_cell_length_b [4.3555]
_cell_length_c [12.4849]
_cel... |
mp-569486 | Yb2Ag7 | data_[Yb8Ag28]
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 [Cmcm]
_cell_length_a [9.5323]
_cell_length_b [5.5402]
_cell_length_c [14.1787]
_cell_angle_alpha [90.0000]
_cell... |
mp-27848 | TiIN | data_[Ti2I2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.5413]
_cell_length_b [3.9766]
_cell_length_c [9.6000]
_cell_a... |
mp-1104074 | Sr3Pt2 | data_[Sr27Pt18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.4418]
_cell_length_b [9.4418]
_cell_length_c [17.7181]
_cell_angle_alpha [90.0000]
_cell... |
mp-1215564 | ZnCuAu2 | data_[Zn2Cu2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6212]
_cell_length_b [2.9641]
_cell_length_c [9.1307]
_ce... |
mp-615821 | Ta9(FeS3)2 | data_[Ta9Fe2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.3557]
_cell_length_b [10.3557]
_cell_length_c [3.3183]
_c... |
mp-1113421 | Cs2BiAuI6 | data_[Cs8Bi4Au4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1959]
_cell_length_b [12... |
mp-972660 | SmHoRh2 | data_[Sm4Ho4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9346]
_cell_length_b [6.9346]
_cell_length_c [6.9346]
_c... |
mp-1069538 | CsPbI3 | data_[Cs1Pb1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4141]
_cell_length_b [6.4141]
_cell_length_c [6.4141]
_cel... |
mp-1214577 | Ba2Sm(CuO2)4 | data_[Ba4Sm2Cu8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9059]
_cell_length_b [27.6... |
mvc-5004 | Ca2CuWO6 | data_[Ca4Cu2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5096]
_cell_length_b [5.72... |
mp-22288 | BaCe2CoS5 | data_[Ba4Ce8Co4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7592]
_cell_length_b [7.... |
mp-1225238 | Er2Fe17C | data_[Er4Fe34C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6024]
_cell_length_b [8.5743]
_cell_length_c [6.3956]
_cel... |
mp-1189258 | Y6PtI10 | data_[Y6Pt1I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7236]
_cell_length_b [9.7311]
_cell_length_c [9.7625]
_cell_a... |
mp-8868 | Ba3NaN | data_[Ba6Na2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.5204]
_cell_length_b [8.5204]
_cell_length_c [7.0040]
_... |
mp-558928 | KrF2 | data_[Kr2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Kr 3.0000 2.02 0.0000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7316]
_cell_length_b [4.7316]
_cell_length_c [6.0367]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1223301 | La2Al3Cu7 | data_[La2Al3Cu7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2654]
_cell_length_b [4.1929]
_cell_length_c [9.0753]
_ce... |
mp-567504 | CrCl3 | data_[Cr6Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.0459]
_cell_length_b [6.0459]
_cell_length_c [20.2479]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1216067 | YBO3 | data_[Y4B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5990]
_cell_length_b [8.3861]
_cell_length_c [8.2987]
_cell_an... |
mp-1224993 | FeCoPt2 | data_[Fe1Co1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.6705]
_cell_length_b [2.6705]
_cell_length_c [7.3204]
_... |
mp-568113 | Ba(AsRh)2 | data_[Ba2As4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0987]
_cell_length_b [4.0987]
_cell_length_c [13.0618]
... |
mp-7381 | TbMg3 | data_[Tb4Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3282]
_cell_length_b [7.3282]
_cell_length_c [7.3282]
_cell_angle_alpha [90.0000]
_cell... |
mp-1337 | MoAs2 | data_[Mo4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1572]
_cell_length_b [3.3312]
_cell_length_c [7.7815]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-571636 | InCl | data_[In4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4114]
_cell_length_b [12.4399]
_cell_length_c [4.5441]
_cell_angle_alpha [90.0000]
_cel... |
mp-865038 | HfTaTc2 | data_[Hf4Ta4Tc8]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4494]
_cell_length_b [6.4494]
_cell_length_c [6.4494]
_c... |
mp-1222709 | Li3(CuO2)2 | data_[Li6Cu4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1133]
_cell_length_b [2.7971]
_cell_length_c [7.3288]
_cell_... |
mp-1217977 | SrNdVO4 | data_[Sr2Nd2V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9104]
_cell_length_b [3.9104]... |
mp-19983 | TiCuSn | data_[Ti2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [4.4178]
_cell_length_b [4.4178]
_cell_length_c [6.0381]
_... |
mp-974455 | Re3Ru | data_[Re6Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.7662]
_cell_length_b [8.8803]
_cell_length_c [4.8258]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-975031 | RbBeH3 | data_[Rb4Be4H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Be 1.5700 1.0500 0.5900
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3532]
_cell_length_b [5.8933]
_cell_length_c [9.4029]
_c... |
mp-1217712 | Tb2NiSb4 | data_[Tb2Ni1Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3472]
_cell_length_b [4.3472]
_cell_length_c [9.3280]
_c... |
mp-10430 | Nb5(NiP)4 | data_[Nb10Ni8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.9952]
_cell_length_b [9.9952]
_cell_length_c [3.5338]
_cel... |
mp-21355 | Cr2TeO6 | data_[Cr4Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.6322]
_cell_length_b [4.6322]
_cell_length_c [9.1987]
... |
mp-1077558 | NdScSi | data_[Nd4Sc4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2883]
_cell_length_b [4.2883]
_cell_length_c [15.8771]
... |
mp-21168 | EuGa2 | data_[Eu1Ga2]
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 [P6/mmm]
_cell_length_a [4.3323]
_cell_length_b [4.3323]
_cell_length_c [4.4886]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217103 | Ti4C3N | data_[Ti12C9N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0541]
_cell_length_b [3.0541]
_cell_length_c [29.8760]
_cell... |
mp-754757 | SbRhO4 | data_[Sb4Rh4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.6439]
_cell_length_b [6.6439]
_cell_length_c [6.3395]
_c... |
mp-21068 | CaIn2 | data_[Ca2In4]
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 [P6_3/mmc]
_cell_length_a [4.9631]
_cell_length_b [4.9631]
_cell_length_c [7.7840]
_cell_angle_alpha [90.0000]
_ce... |
mp-1238899 | MnO | data_[Mn4O4]
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
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.8587]
_cell_length_b [4.8587]
_cell_length_c [4.8587]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1518061 | Sr2InSbO6 | data_[Sr8In4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
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 [8.2394]
_cell_length_b [8.2... |
mp-1211678 | KBeF3 | data_[K4Be4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.5094]
_cell_length_b [5.5478]
_cell_length_c [12.2141]... |
mp-30207 | La3GaBr3 | data_[La3Ga1Br3]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.1449]
_cell_length_b [6.1449]
_cell_length_c [6.1449]
_c... |
mp-3663 | Ta4GaSe8 | data_[Ta16Ga4Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.5058]
_cell_length_b [10.5058]
_cell_length_c [10.505... |
mp-1221976 | MgMn3Te4 | data_[Mg1Mn3Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5448]
_cell_length_b [4.5448]
_cell_length_c [12.7850]
_... |
mp-694873 | SrLaNiRuO6 | data_[Sr2La2Ni2Ru2O12]
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
Ni 1.9100 1.3500 0.7400
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-1215571 | YbZnGe | data_[Yb4Zn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3891]
_cell_length_b [4.4522]
_cell_length_c [7.2193]
_c... |
mp-756800 | Li3Cr(CuO2)4 | data_[Li6Cr2Cu8O16]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9323]
_cell_length_b [5.6... |
mp-1103079 | SmGaNi | data_[Sm4Ga4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0197]
_cell_length_b [4.3618]
_cell_length_c [7.4936]
_ce... |
mp-8220 | LiTb(CuP)2 | data_[Li1Tb1Cu2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9888]
_cell_length_b [3.98... |
mvc-6787 | Zn2CuWO6 | data_[Zn2Cu1W1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9906]
_cell_length_b [5.3771]
_... |
mp-10456 | HfSiPt | data_[Hf4Si4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5948]
_cell_length_b [3.9085]
_cell_length_c [7.5770]
_ce... |
mp-1095658 | Tb2Au | data_[Tb8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1968]
_cell_length_b [4.9681]
_cell_length_c [9.0257]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-2596 | NpN | data_[Np4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.8687]
_cell_length_b [4.8687]
_cell_length_c [4.8687]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-754717 | RbBrO4 | data_[Rb4Br4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.8150]
_cell_length_b [5.8150]
_cell_length_c [13.8773]
_... |
mp-752446 | RbNO3 | data_[Rb3N3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.1601]
_cell_length_b [6.1601]
_cell_length_c [9.2590]
_cell_an... |
mp-1183717 | CeMgAu2 | data_[Ce4Mg4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1058]
_cell_length_b [7.1058]
_cell_length_c [7.1058]
_c... |
mp-632296 | HF | data_[H4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3375]
_cell_length_b [4.4640]
_cell_length_c [5.1810]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-12585 | CrRh3 | data_[Cr1Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8082]
_cell_length_b [3.8082]
_cell_length_c [3.8082]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23297 | BrF3 | data_[Br4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.8016]
_cell_length_b [7.8244]
_cell_length_c [6.2288]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1176655 | Mn2O3F | data_[Mn12O18F6]
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 [C2]
_cell_length_a [8.7657]
_cell_length_b [6.6243]
_cell_length_c [7.0429]
_cell_a... |
mp-21870 | Pr2InPd2 | data_[Pr4In2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8976]
_cell_length_b [7.8976]
_cell_length_c [3.9398]
_... |
mp-752530 | Li2MnNi3O8 | data_[Li4Mn2Ni6O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9482]
_cell_length_b [5.73... |
mp-3587 | Sc(SiNi)2 | data_[Sc2Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8030]
_cell_length_b [3.8030]
_cell_length_c [9.6382]
_... |
mp-541491 | U2Ge4Mo3 | data_[U4Ge8Mo6]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0073]
_cell_length_b [6.9895]
_cell_length_c [6.9547]
_ce... |
mp-1107 | Th7Rh3 | data_[Th14Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.0314]
_cell_length_b [10.0314]
_cell_length_c [6.2762]
_cell_angle_alpha [90.0000]
_c... |
mp-1227788 | Ca2(TlPb)3 | data_[Ca2Tl3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.8969]
_cell_length_b [4.9036]
_cell_length_c [9.8902]
_ce... |
mp-31149 | Ca3BiN | data_[Ca3Bi1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9197]
_cell_length_b [4.9197]
_cell_length_c [4.9197]
_cel... |
mp-1638942 | CaLaCrWO6 | data_[Ca2La2Cr2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [... |
mp-1208217 | TiAsRu | data_[Ti12As12Ru12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.3578]
_cell_length_b [11.3001]
_cell_length_c [6.5573]... |
mp-755118 | V4O7F5 | data_[V4O7F5]
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 [P2]
_cell_length_a [5.4432]
_cell_length_b [5.2981]
_cell_length_c [7.1341]
_cell_angle... |
mp-1091404 | UInRh | data_[U3In3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
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 [7.2462]
_cell_length_b [7.2462]
_cell_length_c [4.1644]
_cel... |
mp-6215 | AgHgAsS3 | data_[Ag4Hg4As4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.7911]
_cell_length_b [11.521... |
mp-4531 | NaNO3 | data_[Na6N6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.1280]
_cell_length_b [5.1280]
_cell_length_c [17.5053]
_cell... |
mp-1185017 | Li2PrGa | data_[Li8Pr4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8108]
_cell_length_b [6.8108]
_cell_length_c [6.8108]
_c... |
mp-1147779 | CaCuO2 | data_[Ca4Cu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7573]
_cell_length_b [9.3685]
_cell_length_c [3.1460]
_cell... |
mp-505791 | ReH8(Br3N)2 | data_[Re4H32Br24N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4540]
_cell_length_b [10.... |
mvc-1 | NiS2 | data_[Ni16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.4678]
_cell_length_b [9.4678]
_cell_length_c [9.4678]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215497 | Zn3Ag | data_[Zn3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.8893]
_cell_length_b [2.8893]
_cell_length_c [8.7029]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1296971 | MgFe2O3 | data_[Mg4Fe8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.2167]
_cell_length_b [4.4299]
_cell_length_c [13.2939]
_ce... |
mp-1205902 | Li5(CuGe)2 | data_[Li5Cu2Ge2]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2280]
_cell_length_b [4.2280]
_cell_length_c [8.0561]
_c... |
mp-1293833 | Y(FeO2)2 | data_[Y4Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [17.1656]
_cell_length_b [3.5218]
_cell_length_c [6.0881]
_cell... |
mp-1077182 | NdSiGe | data_[Nd4Si4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.1338]
_cell_length_b [4.1509]
_cell_length_c [15.3593]
_c... |
mp-1245502 | Li2TiN2 | data_[Li2Ti1N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0883]
_cell_length_b [3.0883]
_cell_length_c [5.4418]
_cel... |
mp-1066581 | VGaFeCo | data_[V4Ga4Fe4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
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 [5.7380]
_cell_length_b [5.73... |
mp-768680 | CrP2S7 | data_[Cr2P4S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.5760]
_cell_length_b [9.4829]
_cell_length_c [6.5354]
_cell_an... |
mp-1111220 | K2NaYI6 | data_[K8Na4Y4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2891]
_cell_length_b [12.289... |
mp-574663 | CdI2 | data_[Cd12I24]
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 [R3m]
_cell_length_a [4.3509]
_cell_length_b [4.3509]
_cell_length_c [93.1077]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1206212 | Nd2Ge6Pt | data_[Nd4Ge12Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2016]
_cell_length_b [4.1729]
_cell_length_c [22.2580]
_... |
mp-1228992 | AlGe3Mo2 | data_[Al3Ge9Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8532]
_cell_length_b [4.8548]
_cell_length_c [13.4129]
_cel... |
mp-752637 | HoBrO | data_[Ho2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.8360]
_cell_length_b [4.1641]
_cell_length_c [9.1753]
_cell... |
mp-763551 | Mn2VO4 | data_[Mn12V6O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.1439]
_cell_length_b [6.1439]
_cell_length_c [15.1862]
_cell... |
mp-4922 | MnAlNi2 | data_[Mn4Al4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
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 [5.7829]
_cell_length_b [5.7829]
_cell_length_c [5.7829]
_c... |
mp-1225330 | Dy4CdS7 | data_[Dy8Cd2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7394]
_cell_length_b [3.8396]
_cell_length_c [11.5956]
_cel... |
mp-1218362 | SrCa3Si4 | data_[Sr1Ca3Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9509]
_cell_length_b [4.6125]
_cell_length_c [10.8662]
_c... |
mp-34296 | Zn(FeO2)2 | data_[Zn4Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0028]
_cell_length_b [6.0144]
_cell_length_c [8.5813]
_cel... |
mp-23495 | K2ZnBr4 | data_[K4Zn2Br8]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3638]
_cell_length_b [7.6335]
_cell_length_c [9.3264]
_ce... |
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