Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002000902 | Hf2PrSe | data_[Pr3Hf6Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Hf 1.3000 1.5500 0.8500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3330]
_cell_length_b [3.3330]
_cell_length_c [30.7067]
_c... |
oqmd-6629883 | FeMnSn4 | data_[Mn2Fe2Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.5951]
_cell_length_b [6.5951]
_cell_length_c [5.3614]
_ce... |
agm005698098 | CsSnTl2 | data_[Cs4Tl8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.4193]
_cell_length_b [5.0909]
_cell_length_c [8.6783]
_cel... |
agm005430870 | RuSe | data_[Ru6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6144]
_cell_length_b [3.0981]
_cell_length_c [7.0310]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm001142707 | ErLi2Sm | data_[Li2Sm1Er1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7200]
_cell_length_b [3.7200]
_cell_length_c [7.4847]
_... |
agm004232934 | KSbSi2 | data_[K2Si4Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5522]
_cell_length_b [4.5522]
_cell_length_c [9.0422]
_ce... |
agm004643266 | Cs3DyPu2S6 | data_[Cs6Dy2Pu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Dy 1.2200 1.7500 1.1310
Pu 1.2800 1.7500 0.9675
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1880]
_cell_length_b [12.4... |
agm004637390 | Ca2HfNa3Se6 | data_[Na6Ca4Hf2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1451]
_cell_length_b [12... |
agm001350191 | AgLiMgSb | data_[Li4Mg4Ag4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8630]
_cell_length_b [6.... |
oqmd-8986892 | N3Nb2Sn3V4 | data_[Nb8V16Sn12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4837]
_cell_length_b [5.46... |
agm006083356 | NiTb4Te3 | data_[Tb8Ni2Te6]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.8924]
_cell_length_b [12.2449]
_cell_length_c [4.1548]
_c... |
mp-1047865 | MgNi3O13P3 | data_[Mg2Ni6P6O26]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [P2_1/m]
_cell_length_a [7.4586]
_cell_length_b [6.21... |
agm005549182 | Co15Mn2Np2 | data_[Np6Mn6Co45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2820]
_cell_length_b [8.2820]
_cell_length_c [12.1043]
_... |
agm003557581 | DyEr3Te4 | data_[Dy2Er6Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.2466]
_cell_length_b [7.8633]
_cell_length_c [8.2189]
_... |
agm004547454 | Hg2Li2Sn2Y | data_[Li6Y3Sn6Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6655]
_cell_length_b [4.665... |
agm002633844 | AlNb2Ru | data_[Nb8Al4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4120]
_cell_length_b [6.4120]
_cell_length_c [6.4120]
_c... |
agm003308938 | Nd2Rh2Zn3 | data_[Nd4Zn6Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0129]
_cell_length_b [4.1429]
_cell_length_c [7.2531]
_c... |
agm005818426 | TcTh2Zn16 | data_[Th6Zn48Tc3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Zn 1.6500 1.3500 0.8800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.1080]
_cell_length_b [9.1080]
_cell_length_c [13.1382]
_c... |
oqmd-9443614 | Dy2HoPm3 | data_[Pm12Dy8Ho4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.8031]
_cell_length_b [6.2370]
_cell_length_c [11.5768]
... |
agm005100559 | CdHfO6Ta | data_[Hf2Ta2Cd2O12]
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
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9649]
_cell_length_b [4.... |
agm002280705 | As2GdH2O6 | data_[Gd1As2H2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.6873]
_cell_length_b [5.6873]
... |
agm004552168 | Ce2TbTl2Zn2 | data_[Tb3Ce6Tl6Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5957]
_cell_length_b [4.5... |
agm001261405 | MgPrSi | data_[Pr1Mg1Si1]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4715]
_cell_length_b [4.4715]
_cell_length_c [4.2358]
_c... |
agm005524226 | K4Mg5 | data_[K8Mg10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [10.6149]
_cell_length_b [10.6149]
_cell_length_c [7.1948]
_cell_angle_alpha [90.0000]
_c... |
mp-1518641 | BiKNbO6Zr | data_[K4Zr4Nb4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
agm004795445 | Au4Cd2ErPr | data_[Pr3Er3Cd6Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9909]
_cell_length_b [4.... |
agm002585439 | Bi3MnS | data_[Mn1Bi3S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3699]
_cell_length_b [5.3699]
_cell_length_c [5.3699]
_cel... |
agm1000009895 | Mn3P2 | data_[Mn12P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [17.2073]
_cell_length_b [29.8039]
_cell_length_c [4.5227]
_cell_angle_alpha [90.0000]
_cell_... |
agm003332689 | I3Li2Se4 | data_[Li2Se4I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5257]
_cell_length_b [6.5604]
_cell_length_c [11.8398]
_cell... |
oqmd-6746528 | CuIn2LiS4 | data_[Li2In4Cu2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.6171]
_cell_length_b [5.6171... |
mp-1045921 | O8Ta2TiZn2 | data_[Ta8Ti4Zn8O32]
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
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.4097]
_cell_length_b [5.9... |
agm003092221 | InLiSn | data_[Li4In4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.4058]
_cell_length_b [9.5665]
_cell_length_c [6.0383]
_cell... |
agm005058344 | Ho4InNTl | data_[Ho16Tl4In4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.6862]
_cell_length_b [15.7... |
agm004554081 | Ca2Hg2In2Nd | data_[Ca6Nd3In6Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9781]
_cell_length_b [4.9... |
agm005099781 | AsCl6CoNa | data_[Na1Co1As1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.4254]
_cell_length_b [6.4... |
agm004689981 | CeNa3Pm3Se8 | data_[Na9Ce3Pm9Se24]
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
Pm 1.1300 1.8500 1.1100
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5042]
_cell_length_b [8.... |
agm006053277 | K6Na3O | data_[K24Na12O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.0764]
_cell_length_b [20.4769]
_cell_length_c [12.1637]
_... |
agm005581420 | Ag7GeS6 | data_[Ag28Ge4S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.4064]
_cell_length_b [13.6357]
_cell_length_c [14.2572]
_... |
agm001262232 | FHoSb | data_[Ho1Sb1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9242]
_cell_length_b [3.9242]
_cell_length_c [4.7938]
_cel... |
agm003908906 | AlIrMo2 | data_[Al1Mo2Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1446]
_cell_length_b [3.1446]
_cell_length_c [6.1306]
_ce... |
agm004159380 | AuCo2Sc | data_[Sc2Co4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8548]
_cell_length_b [3.8548]
_cell_length_c [7.9193]
_c... |
agm004425066 | BrPb2 | data_[Pb2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4676]
_cell_length_b [5.4676]
_cell_length_c [3.6044]
_cell_angle_alpha [90.0000]
_cell... |
agm002145025 | CdCr2Sn | data_[Cr8Cd4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7042]
_cell_length_b [6.7042]
_cell_length_c [6.7042]
_c... |
agm004348053 | Ba2LaLi | data_[Ba2Li1La1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4405]
_cell_length_b [6.2204]
_cell_length_c [6.4393]
_ce... |
agm005851456 | BaCa2Sr8 | data_[Ba2Sr16Ca4]
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
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8110]
_cell_length_b [7.7874]
_cell_length_c [7.4429]
_... |
agm001318883 | AuGdIrY | data_[Gd4Y4Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0674]
_cell_length_b [7.06... |
agm002351894 | HgRh4Yb | data_[Yb4Hg4Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4394]
_cell_length_b [7.4394]
_cell_length_c [7.4394]
_... |
oqmd-6585125 | CdNiTi4 | data_[Ti4Cd1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0149]
_cell_length_b [3.0149]
_cell_length_c [10.6900]
... |
oqmd-9779876 | Na4NiPdZn2 | data_[Na4Zn2Ni1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6631]
_cell_length_b [4.... |
agm002110935 | NaPtZn | data_[Na4Zn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0622]
_cell_length_b [10.1263]
_cell_length_c [5.0520]
_cel... |
agm005754266 | Ac3BrPt2 | data_[Ac12Pt8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pt 2.2800 1.3500 0.8050
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4442]
_cell_length_b [16.0162]
_cell_length_c [12.4844]
... |
agm004745029 | CaGa2Pd2Tb | data_[Ca1Tb1Ga2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4641]
_cell_length_b [4.... |
agm002451754 | Co3CsLa | data_[Cs1La1Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7878]
_cell_length_b [4.7878]
_cell_length_c [4.7878]
_c... |
agm005574222 | Ga3In3Tb2 | data_[Tb2In3Ga3]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.3761]
_cell_length_b [4.4761]
_cell_length_c [9.1823]
_ce... |
oqmd-2384709 | Mg5Tb | data_[Tb1Mg5]
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 [P-62m]
_cell_length_a [5.7378]
_cell_length_b [5.7378]
_cell_length_c [5.1653]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-4157686 | HoNi | data_[Ho3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7599]
_cell_length_b [3.7599]
_cell_length_c [9.9226]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001398623 | EuHgNdSb | data_[Nd4Eu4Hg4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Eu 1.2000 1.8500 1.1985
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7549]
_cell_length_b [7.... |
agm005888607 | BrI3Ir | data_[Ir4I12Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.7179]
_cell_length_b [15.4983]
_cell_length_c [6.6655]
_cell... |
agm002940686 | Hg2In2Pd | data_[In4Hg4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0521]
_cell_length_b [4.0521]
_cell_length_c [15.2244]
... |
oqmd-8933389 | AsFeO3Pb2Sc | data_[Sc2Fe2As2Pb4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_lengt... |
agm004622184 | Bi6CaEr3Sm2 | data_[Ca2Sm4Er6Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6986]
_cell_length_b [4... |
agm004182402 | Mo3Os | data_[Mo3Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7714]
_cell_length_b [4.7714]
_cell_length_c [4.7714]
_cell_angle_alpha [90.0000]
_cell_... |
agm001054436 | BePuRe | data_[Pu4Be4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Be 1.5700 1.0500 0.5900
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3320]
_cell_length_b [12.9766]
_cell_length_c [3.1875]
_c... |
oqmd-4652724 | CeCuEuTe3 | data_[Ce4Eu4Cu4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3686]
_cell_length_b [14... |
agm005744893 | F5NiRb | data_[Rb2Ni2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0453]
_cell_length_b [6.5889]
_cell_length_c [8.0137]
_cel... |
agm001216181 | Ac2GaNa | data_[Na1Ac2Ga1]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6469]
_cell_length_b [5.6469]
_cell_length_c [4.1919]
_... |
oqmd-8700076 | Cl6Cs2VYb | data_[Cs8Yb4V4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Yb 1.1000 1.7500 1.0840
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3981]
_cell_length_b [10... |
agm004384248 | AgBa2Ta | data_[Ba4Ta2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.9231]
_cell_length_b [4.9231]
_cell_length_c [11.0088]
_... |
agm004395175 | AgAs2Cd | data_[Cd2Ag2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0441]
_cell_length_b [8.6605]
_cell_length_c [3.0878]
_ce... |
agm003352078 | Cd7Pr3Tl2 | data_[Pr9Tl6Cd21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1057]
_cell_length_b [6.1057]
_cell_length_c [29.4552]
_... |
agm004544757 | Co2HPm2Si2 | data_[Pm4Co4Si4H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5456]
_cell_length_b [4.02... |
oqmd-2218872 | CoCrLiPb | data_[Li4Cr4Co4Pb4]
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
Co 1.8800 1.3500 0.7683
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2234]
_cell_length_b [6.... |
agm005118294 | Au2SbZn | data_[Zn3Sb3Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3635]
_cell_length_b [4.3635]
_cell_length_c [15.2873]
_ce... |
agm003681915 | BeH8Na5 | data_[Na10Be2H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Be 1.5700 1.0500 0.5900
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.4151]
_cell_length_b [7.4151]
_cell_length_c [7.1155]
_cel... |
agm006115257 | CsSe8Sm5 | data_[Cs2Sm10Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.8165]
_cell_length_b [4.2589]
_cell_length_c [10.3259]... |
oqmd-4477094 | Ac2Nb | data_[Ac16Nb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [12.6427]
_cell_length_b [12.6427]
_cell_length_c [12.6427]
_cell_angle_alpha [90.0000]
_c... |
agm001928478 | Ho2TbTi | data_[Tb3Ho6Ti3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3477]
_cell_length_b [3.3477]
_cell_length_c [35.0481]
_c... |
agm005216535 | AlBaCoP | data_[Ba2Al2Co2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8607]
_cell_length_b [3.8... |
agm001360966 | GaIrLiMo | data_[Li4Ga4Mo4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1204]
_cell_length_b [6.... |
oqmd-6234351 | PbSn6TbY2 | data_[Tb2Y4Sn12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4232]
_cell_length_b [26.6... |
agm003293876 | AgO | data_[Ag2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.4381]
_cell_length_b [3.4381]
_cell_length_c [6.2276]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003423397 | Pd2Pm3Pr | data_[Pm12Pr4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.1359]
_cell_length_b [14.1490]
_cell_length_c [7.2759]
_... |
agm004840159 | As4ErTbTm2 | data_[Tb1Er1Tm2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0773]
_cell_length_b [4.0... |
oqmd-4807464 | NOPaSb | data_[Pa2Sb2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9989]
_cell_length_b [7.078... |
agm005156352 | GaLa2NaSe5 | data_[Na4La8Ga4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1248]
_cell_length_b [... |
agm001476059 | Br2ClCrO | data_[Cr1Br2Cl1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4075]
_cell_length_b [5.4... |
agm001561390 | F2NiSrV | data_[Sr1V1Ni1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4257]
_cell_length_b [4.425... |
agm003826409 | As2HgNi | data_[Ni1Hg1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6865]
_cell_length_b [3.8509]
_cell_length_c [5.0144]
_ce... |
agm001650405 | AgMg2NiSr | data_[Sr1Mg2Ni1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8418]
_cell_length_b [4... |
agm001011309 | BrFeTm | data_[Tm6Fe6Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8268]
_cell_length_b [3.8268]
_cell_length_c [34.7162]
_c... |
agm005205861 | PdPrPtPu | data_[Pr2Pu2Pd2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pu 1.2800 1.7500 0.9675
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3647]
_cell_length_b [3.9... |
agm2000141993 | I5MnPm | data_[Pm2Mn2I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mn 1.5500 1.4000 0.6483
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [17.3749]
_cell_length_b [4.2389]
_cell_length_c [19.9895]
_c... |
oqmd-9967642 | Al2Cu2Ho | data_[Ho2Al4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0964]
_cell_length_b [4.0964]
_cell_length_c [10.1945]
... |
agm003617373 | BaCd2Hg | data_[Ba4Cd8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1944]
_cell_length_b [11.3804]
_cell_length_c [8.0302]
_c... |
agm003711559 | Br3ClSb | data_[Sb2Br6Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5867]
_cell_length_b [7.7810]
_cell_length_c [8.0998]
_cell... |
agm005217623 | As3Cu2 | data_[Cu12As18]
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 [R-3c]
_cell_length_a [6.6181]
_cell_length_b [6.6181]
_cell_length_c [13.9148]
_cell_angle_alpha [90.0000]
_cel... |
oqmd-7437571 | CuHfRbSeTe2 | data_[Rb4Hf4Cu4Te8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_lengt... |
agm001526518 | AlAuIOs2 | data_[Al1Os2Au1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8320]
_cell_length_b [4.8... |
agm002899874 | TiV2W | data_[Ti4V8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.8755]
_cell_length_b [6.8755]
_cell_length_c [5.3291]
_cell_... |
agm001026121 | BNdPd | data_[Nd4B4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6644]
_cell_length_b [3.2003]
_cell_length_c [9.3435]
_cell... |
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