Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1106052 | Dy2Al3Fe14 | data_[Dy6Al9Fe42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4814]
_cell_length_b [8.4814]
_cell_length_c [12.5511]
_... |
mp-1225832 | Cu2SnS3 | data_[Cu4Sn2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8937]
_cell_length_b [11.5720]
_cell_length_c [5.4436]
_cel... |
mp-1224295 | HfTa5B4 | data_[Hf1Ta5B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [6.2612]
_cell_length_b [6.2612]
_cell_length_c [3.3148]
_cell... |
mp-1518644 | KSrHfBiO6 | data_[K4Sr4Hf4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1095320 | LuBPt2 | data_[Lu3B3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.2926]
_cell_length_b [5.2926]
_cell_length_c [7.9314]
_ce... |
mp-1217780 | Ta2Co3Ge | data_[Ta4Co6Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8917]
_cell_length_b [4.8917]
_cell_length_c [7.6548]... |
mp-15796 | LiHoSe2 | data_[Li3Ho3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0532]
_cell_length_b [4.0532]
_cell_length_c [19.4982]
_c... |
mp-1094267 | Zr3Sn | data_[Zr6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.1484]
_cell_length_b [6.1281]
_cell_length_c [5.7250]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20813 | Ba2MnReO6 | data_[Ba8Mn4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2886]
_cell_length_b [8.2... |
mp-541823 | TlCr5S8 | data_[Tl2Cr10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0177]
_cell_length_b [3.4918]
_cell_length_c [8.7049]
_c... |
mp-30771 | Lu6Ni2Sn | data_[Lu24Ni8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.1272]
_cell_length_b [9.4114]
_cell_length_c [9.9463]
_c... |
mp-20746 | YbIn2Au | data_[Yb4In8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5889]
_cell_length_b [10.8222]
_cell_length_c [7.7222]
_c... |
mp-1018150 | NbTe2 | data_[Nb1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6930]
_cell_length_b [3.6930]
_cell_length_c [7.1933]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1182123 | BaSb2 | data_[Ba2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4423]
_cell_length_b [4.8548]
_cell_length_c [4.9366]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-29069 | Na(CuS)4 | data_[Na1Cu4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8201]
_cell_length_b [3.8201]
_cell_length_c [12.1564]
_ce... |
mp-755110 | Cs2MnO4 | data_[Cs8Mn4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.3752]
_cell_length_b [11.6329]
_cell_length_c [8.6704]
_... |
mp-18854 | Sr2CrO4 | data_[Sr4Cr2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8341]
_cell_length_b [3.8341]
_cell_length_c [12.8515]
_c... |
mp-28473 | CClF3 | data_[C4Cl4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.4935]
_cell_length_b [9.8625]
_cell_length_c [4.8941]
_cel... |
mp-1225828 | Eu2(AlAg)5 | data_[Eu2Al5Ag5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5176]
_cell_length_b [5.5327]
_cell_length_c [9.8433]
_ce... |
mp-568974 | Ca(CuSn)2 | data_[Ca2Cu4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9986]
_cell_length_b [4.2505]
_cell_length_c [4.8770]
_c... |
mp-1245848 | Sb4S3N2 | data_[Sb8S6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7545]
_cell_length_b [3.7032]
_cell_length_c [9.2008]
_cell_... |
mp-21144 | TbCoGe | data_[Tb4Co4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9527]
_cell_length_b [4.2613]
_cell_length_c [7.1664]
_ce... |
mp-1104125 | Y2CdSe4 | data_[Y16Cd8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.8326]
_cell_length_b [11.8326]
_cell_length_c [11.8326]... |
mvc-14156 | MgCuF5 | data_[Mg4Cu4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5177]
_cell_length_b [6.1366]
_cell_length_c [7.4613]
_cel... |
mp-1105684 | Tb2Te3 | data_[Tb32Te48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.7404]
_cell_length_b [12.3768]
_cell_length_c [26.5552]
_cell_angle_alpha [90.0000]
_ce... |
mp-553374 | Cs4Sb2O5 | data_[Cs8Sb4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.8738]
_cell_length_b [7.0589]
_cell_length_c [8.3032]
_cell... |
mp-1225607 | Er2MnGe4 | data_[Er4Mn2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2097]
_cell_length_b [4.2308]
_cell_length_c [15.3587]
_c... |
mp-2717 | Zr2Ni7 | data_[Zr4Ni14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.6912]
_cell_length_b [8.2317]
_cell_length_c [6.2895]
_cell_angle_alpha [90.0000]
_cell_... |
mp-646926 | GdRu2 | data_[Gd8Ru16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5929]
_cell_length_b [7.5929]
_cell_length_c [7.5929]
_cell_angle_alpha [90.0000]
_cell... |
mp-504751 | AsHPbO4 | data_[As2H2Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.9729]
_cell_length_b [6.7901]... |
mp-1223998 | In(BiSe2)3 | data_[In3Bi9Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1566]
_cell_length_b [4.1566]
_cell_length_c [58.5868]
_c... |
mp-1103389 | Sr3Ta2ZnO9 | data_[Sr3Ta2Zn1O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7253]
_cell_length_b [5.72... |
mp-1111040 | Rb2HgBiI6 | data_[Rb8Hg4Bi4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.4547]
_cell_length_b [12... |
mp-1221085 | NaCe(MoO4)2 | data_[Na2Ce2Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.3886]
_cell_length_b [5.388... |
mp-1227112 | CaPb3Se4 | data_[Ca2Pb6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.7483]
_cell_length_b [12.3568]
_cell_length_c [4.3610]
_c... |
mp-975646 | PrZnSbO | data_[Pr2Zn2Sb2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2095]
_cell_length_b [4.2... |
mp-13917 | LiCaGe2 | data_[Li4Ca4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0786]
_cell_length_b [3.9411]
_cell_length_c [10.7558]
_c... |
mp-756428 | LaTh4O10 | data_[La2Th8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Th 1.3000 1.8000 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.9265]
_cell_length_b [8.9265]
_cell_length_c [5.6440]
_cel... |
mp-555746 | InAg3(PO4)2 | data_[In2Ag6P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8406]
_cell_length_b [5.6099... |
mp-1112122 | Cs2RbSbCl6 | data_[Cs8Rb4Sb4Cl24]
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
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5985]
_cell_length_b [... |
mp-755188 | LiFe2F5 | data_[Li4Fe8F20]
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 [C2/c]
_cell_length_a [11.7495]
_cell_length_b [5.3274]
_cell_length_c [5.4699]
_ce... |
mp-5470 | AgPS3 | data_[Ag4P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0009]
_cell_length_b [7.2897]
_cell_length_c [7.6822]
_cell... |
mp-11283 | ZrBe5 | data_[Zr1Be5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.5652]
_cell_length_b [4.5652]
_cell_length_c [3.4605]
_cell_angle_alpha [90.0000]
_cell... |
mp-1210237 | NaEuCu2F8 | data_[Na2Eu2Cu4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [5.5298]
_cell_length_b [5.52... |
mp-675651 | MgPS3 | data_[Mg4P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1086]
_cell_length_b [10.5777]
_cell_length_c [7.2510]
_cell... |
mp-626788 | ReH3O5 | data_[Re2H6O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0464]
_cell_length_b [6.1042]
_cell_length_c [7.4302]
_cell_an... |
mp-1178187 | Hf2N2O | data_[Hf8N8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.3754]
_cell_length_b [5.5261]
_cell_length_c [5.8595]
_cell_ang... |
mp-756861 | LiLa4Ti3O12 | data_[Li1La4Ti3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5864]
_cell_length_b [5.629... |
mp-862698 | Ac2SiAu | data_[Ac8Si4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7848]
_cell_length_b [7.7848]
_cell_length_c [7.7848]
_c... |
mp-1097061 | CaTlF3 | data_[Ca2Tl2F6]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.3814]
_cell_length_b [6.3773]
_cell_length_c [4.5086]
_cell_a... |
mp-1018714 | HfGaCu | data_[Hf2Ga2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2268]
_cell_length_b [4.2268]
_cell_length_c [6.3115]... |
mp-7219 | Na2ZrSe3 | data_[Na8Zr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0067]
_cell_length_b [12.1560]
_cell_length_c [7.3380]
_... |
mp-863673 | LiPm2Rh | data_[Li4Pm8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1764]
_cell_length_b [7.1764]
_cell_length_c [7.1764]
_c... |
mp-864635 | Ag2Cl3 | data_[Ag12Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.7029]
_cell_length_b [6.7029]
_cell_length_c [18.3189]
_cell_angle_alpha [90.0000]
_cel... |
mp-1222857 | LaMg11Al | data_[La2Mg22Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0136]
_cell_length_b [14.4343]
_cell_length_c [7.6880]
_... |
mp-30339 | ErAg2 | data_[Er2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7302]
_cell_length_b [3.7302]
_cell_length_c [9.1956]
_cell_angle_alpha [90.0000]
_cell... |
mp-1226272 | CrNiPO5 | data_[Cr4Ni4P4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5993]
_cell_length_b [7.6376... |
mp-556104 | La2CrO6 | data_[La8Cr4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5439]
_cell_length_b [4.4382]
_cell_length_c [8.5145]
_ce... |
mp-1216600 | V(CrTe2)2 | data_[V2Cr4Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.0130]
_cell_length_b [4.0023]
_cell_length_c [6.9516]
_cell_... |
mp-1247390 | Ba2SrN2 | data_[Ba2Sr1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9306]
_cell_length_b [3.9306]
_cell_length_c [10.5607]
_ce... |
mp-656 | LuS | data_[Lu4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3845]
_cell_length_b [5.3845]
_cell_length_c [5.3845]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-10897 | PrAl2Ni3 | data_[Pr1Al2Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3214]
_cell_length_b [5.3214]
_cell_length_c [3.8273]
_... |
mp-1025010 | Be5Fe | data_[Be20Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8345]
_cell_length_b [5.8345]
_cell_length_c [5.8345]
_cell_angle_alpha [90.0000]
_cell... |
mp-9486 | K2AlF5 | data_[K2Al1F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0370]
_cell_length_b [6.0370]
_cell_length_c [3.7518]
_cell... |
mp-976072 | NaAc2Pb | data_[Na4Ac8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ac 1.1000 1.9500 1.2600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3354]
_cell_length_b [8.3354]
_cell_length_c [8.3354]
_c... |
mp-2418 | PdSe2 | data_[Pd4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.7944]
_cell_length_b [5.9454]
_cell_length_c [8.5851]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-753853 | U4BiO10 | data_[U8Bi2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.6071]
_cell_length_b [8.6071]
_cell_length_c [5.4423]
_cell_... |
mp-1112119 | Cs2RbScBr6 | data_[Cs8Rb4Sc4Br24]
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
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 [11.8967]
_cell_length_b [... |
mp-1221530 | MnZn4S5 | data_[Mn4Zn16S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [33.5642]
_cell_length_b [3.8760]
_cell_length_c [6.3493]
_cel... |
mp-977552 | Be3Tc | data_[Be3Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.3786]
_cell_length_b [3.3786]
_cell_length_c [3.3786]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8919 | ErPPd | data_[Er4P4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8835]
_cell_length_b [3.9855]
_cell_length_c [7.7453]
_cell... |
mp-1112612 | Cs2CuAsCl6 | data_[Cs8Cu4As4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.2569]
_cell_length_b [... |
mp-1209801 | Pr3Ge5 | data_[Pr24Ge40]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [6.0089]
_cell_length_b [18.0859]
_cell_length_c [14.2204]
_cell_angle_alpha [90.0000]
_ce... |
mp-1078540 | Ni6Ge2B | data_[Ni6Ge2B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.2021]
_cell_length_b [6.2021]
_cell_length_c [2.9563]
_cel... |
mp-1188237 | Tm3Ir | data_[Tm12Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2091]
_cell_length_b [9.1146]
_cell_length_c [6.2739]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23152 | Bi | data_[Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6096]
_cell_length_b [4.6096]
_cell_length_c [11.9755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-21246 | Ba2Pb | data_[Ba8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.8025]
_cell_length_b [5.8030]
_cell_length_c [10.8271]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1207177 | TbBiPd | data_[Tb4Bi4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7480]
_cell_length_b [6.7480]
_cell_length_c [6.7480]
_c... |
mp-1184642 | Ho2ZnCu | data_[Ho8Zn4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9928]
_cell_length_b [6.9928]
_cell_length_c [6.9928]
_c... |
mp-9813 | WS2 | data_[W3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1911]
_cell_length_b [3.1911]
_cell_length_c [21.3630]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-1216592 | TlSbSe2 | data_[Tl2Sb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1671]
_cell_length_b [4.1577]
_cell_length_c [14.4897]
_c... |
mp-850206 | V3(O2F)2 | data_[V6O8F4]
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 [P-1]
_cell_length_a [5.5830]
_cell_length_b [5.5912]
_cell_length_c [7.3042]
_cell_angl... |
mp-1184008 | Cu3As | data_[Cu3As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7367]
_cell_length_b [3.7367]
_cell_length_c [3.7367]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1216153 | Y2CrFeO6 | data_[Y4Cr2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3325]
_cell_length_b [5.62... |
mp-27490 | Te2AuCl | data_[Te8Au4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1320]
_cell_length_b [12.3723]
_cell_length_c [8.8060]
_c... |
mp-569724 | ErAgSn | data_[Er2Ag2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.7259]
_cell_length_b [4.7259]
_cell_length_c [7.3569]
_... |
mp-11359 | Ga2Cu | data_[Ga2Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8395]
_cell_length_b [2.8395]
_cell_length_c [5.8970]
_cell_angle_alpha [90.0000]
_cell... |
mp-861624 | LiLaHg2 | data_[Li4La4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4233]
_cell_length_b [7.4233]
_cell_length_c [7.4233]
_c... |
mp-755529 | SbPHO5 | data_[Sb2P2H2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2290]
_cell_length_b [5.6492]
_... |
mp-23933 | AlH3 | data_[Al6H18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [4.4688]
_cell_length_b [4.4688]
_cell_length_c [11.8434]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-7609 | SbOF | data_[Sb4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9284]
_cell_length_b [4.1574]
_cell_length_c [5.8205]
_cell_a... |
mp-1216081 | Y2Ga3Cu | data_[Y2Ga3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3732]
_cell_length_b [4.3732]
_cell_length_c [7.2969]
_cell... |
mp-18192 | Sr3Sn5 | data_[Sr12Sn20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.7729]
_cell_length_b [8.6686]
_cell_length_c [11.0073]
_cell_angle_alpha [90.0000]
_ce... |
mp-10881 | Ce3AlN | data_[Ce3Al1N1]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8680]
_cell_length_b [4.8680]
_cell_length_c [4.8680]
_cel... |
mp-1185616 | Mn2CrSi | data_[Mn8Cr4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5998]
_cell_length_b [5.5998]
_cell_length_c [5.5998]
_c... |
mp-1218583 | Sr4Fe2CoNiO12 | data_[Sr12Fe6Co3Ni3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length... |
mp-1226202 | Cs2CaP2O7 | data_[Cs4Ca2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4044]
_cell_length_b [6.0125]... |
mp-568864 | RbCrCl3 | data_[Rb8Cr8Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.4690]
_cell_length_b [7.1441]
_cell_length_c [12.8220]
_c... |
mp-1067236 | CdPt3 | data_[Cd2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.8053]
_cell_length_b [7.9284]
_cell_length_c [2.8805]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1077789 | ThSiNi | data_[Th4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.0758]
_cell_length_b [4.0758]
_cell_length_c [13.9937]
... |
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