Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001419671 | BrInLa2O | data_[La2In1Br1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8218]
_cell_length_b [5.8... |
agm004563671 | Ca2Cu2DyS4 | data_[Ca4Dy2Cu4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3169]
_cell_length_b [3.73... |
agm001749397 | FeNO2Os | data_[Fe1Os1N1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6951]
_cell_length_b [3.695... |
oqmd-4588933 | CdHoNaTe3 | data_[Na4Ho4Cd4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3662]
_cell_length_b [14... |
agm002896802 | PtTe2W | data_[Te8Pt4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.1629]
_cell_length_b [6.1629]
_cell_length_c [11.7244]
_ce... |
agm002545494 | ClNaRh3 | data_[Na1Rh3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Rh 2.2800 1.3500 0.7450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4667]
_cell_length_b [4.4667]
_cell_length_c [4.4667]
_c... |
agm005557363 | Ba3Cd2Ga2 | data_[Ba6Cd4Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9879]
_cell_length_b [4.4815]
_cell_length_c [9.5095]
_c... |
agm004667222 | Ac3InPb2Pd6 | data_[Ac3In1Pd6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0955]
_cell_length_b [6.... |
agm005862942 | HgPb8Sb2 | data_[Hg2Sb4Pb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7744]
_cell_length_b [13.0220]
_cell_length_c [6.2050]
_... |
agm004874697 | AgAs2O8Pa | data_[Pa2Ag2As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.2313]
_cell_length_b [7.2... |
agm005922273 | Br2SbSc2 | data_[Sc6Sb3Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0022]
_cell_length_b [4.0022]
_cell_length_c [31.1223]
_c... |
agm003423475 | Ce3Sb2Tm | data_[Ce12Tm4Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2145]
_cell_length_b [4.1037]
_cell_length_c [9.5215]
_... |
agm004092689 | CoSiZr2 | data_[Zr8Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4456]
_cell_length_b [6.4456]
_cell_length_c [6.4456]
_c... |
agm005844007 | Np2Pt9V | data_[Np2V1Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
V 1.6300 1.3500 0.7775
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0786]
_cell_length_b [4.0786]
_cell_length_c [12.2693]
_c... |
agm005586042 | N10Pr4W3 | data_[Pr8W6N20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0040]
_cell_length_b [4.0040]
_cell_length_c [28.5964]
_ce... |
agm003846761 | AlSb3 | data_[Al1Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0530]
_cell_length_b [4.0530]
_cell_length_c [7.6373]
_cell_angle_alpha [90.0000]
_cell_... |
agm004034068 | CoMg2Sr | data_[Sr3Mg6Co3]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4742]
_cell_length_b [4.4742]
_cell_length_c [17.7348]
_c... |
oqmd-2377835 | Cu4FeMg2V | data_[Mg2V1Fe1Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2219]
_cell_length_b [4.2... |
agm002321458 | ReTb3 | data_[Tb6Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2060]
_cell_length_b [3.9410]
_cell_length_c [8.0553]
_cell_angle_alpha [90.0000]
_cell... |
agm001660597 | FK2SrTe | data_[K2Sr1Te1F1]
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
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5501]
_cell_length_b [5.550... |
agm004554637 | Dy2Ho2PrSm2 | data_[Pr2Sm4Dy4Ho4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3120]
_cell_length_b [5.... |
oqmd-9937406 | FeLu2Sn2 | data_[Lu8Fe4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7883]
_cell_length_b [4.4389]
_cell_length_c [10.6326]
_... |
agm003628020 | C2PaSc | data_[Sc3Pa3C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pa 1.5000 1.8000 1.0400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5026]
_cell_length_b [3.5026]
_cell_length_c [17.1389]
_cell... |
agm004433120 | CaRu2 | data_[Ca2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8877]
_cell_length_b [3.7170]
_cell_length_c [10.7088]
_cell_angle_alpha [90.0000]
_cell_... |
agm005922961 | Ru4SmTm3 | data_[Sm3Tm9Ru12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7791]
_cell_length_b [4.7791]
_cell_length_c [23.4751]
_... |
agm2000040889 | La2Te3 | data_[La4Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pba2]
_cell_length_a [6.0475]
_cell_length_b [12.0562]
_cell_length_c [18.4831]
_cell_angle_alpha [90.0000]
_cell... |
agm001138936 | Dy2TlZn | data_[Dy2Tl1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6663]
_cell_length_b [3.6663]
_cell_length_c [7.4189]
_... |
agm002327001 | AlIn2Pm | data_[Pm4Al4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3966]
_cell_length_b [7.3966]
_cell_length_c [7.3966]
_c... |
agm005036190 | DyLiPrTe3 | data_[Li2Pr2Dy2Te6]
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
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0219]
_cell_length_b [4... |
agm005568655 | In7Sn2Tl2 | data_[Tl4In14Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0719]
_cell_length_b [11.1700]
_cell_length_c [6.6065]
_... |
agm004276392 | K2TaY | data_[K8Y4Ta4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.2335]
_cell_length_b [8.2335]
_cell_length_c [8.2335]
_cell_... |
agm002821239 | CrPdSn2 | data_[Cr4Sn8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.5418]
_cell_length_b [7.5418]
_cell_length_c [6.0042]
_c... |
agm004253446 | AsK2Ni | data_[K4Ni2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3008]
_cell_length_b [4.3008]
_cell_length_c [10.2117]
_c... |
agm003742271 | In4NdTb | data_[Tb2Nd2In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0116]
_cell_length_b [5.2917]
_cell_length_c [12.2405]
_c... |
oqmd-8962464 | Ba2Fe2O5 | data_[Ba8Fe8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.8833]
_cell_length_b [5.8636]
_cell_length_c [5.7702]
_ce... |
oqmd-6225039 | AlKLi2Sb2 | data_[K4Li8Al4Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.8989]
_cell_length_b [10.03... |
agm005677200 | Cl2HZr | data_[Zr2H2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.9878]
_cell_length_b [3.4575]
_cell_length_c [7.6534]
_cell_a... |
agm001381420 | BiCaInLi | data_[Li4Ca4In4Bi4]
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
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5744]
_cell_length_b [7.... |
agm005990784 | Cd5Pr2Tl | data_[Pr8Tl4Cd20]
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 [Cmcm]
_cell_length_a [4.7516]
_cell_length_b [17.9315]
_cell_length_c [9.9880]
_... |
agm001541267 | Ca2FOTa | data_[Ca2Ta1O1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3644]
_cell_length_b [4.364... |
agm004620308 | Co2I3Nd6Tl | data_[Nd12Tl2Co4I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3093]
_cell_length_b [4.1... |
agm005525490 | CrP6Ta2 | data_[Ta4Cr2P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.0511]
_cell_length_b [6.0511]
_cell_length_c [9.3033]
... |
oqmd-2927528 | CoPbSm | data_[Sm4Co4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
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 [6.9201]
_cell_length_b [6.9201]
_cell_length_c [6.9201]
_c... |
agm003536059 | Al2DySc8 | data_[Dy2Sc16Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1755]
_cell_length_b [13.9342]
_cell_length_c [5.2224]
_... |
oqmd-2914697 | CuPdTl | data_[Tl4Cu4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2363]
_cell_length_b [6.2363]
_cell_length_c [6.2363]
_c... |
agm002304552 | GaO6Pr2Sb | data_[Pr2Ga1Sb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6336]
_cell_length_b [5.7518... |
agm001530395 | CaKSeZr2 | data_[K1Ca1Zr2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5009]
_cell_length_b [5.5... |
agm001696443 | F2InN2 | data_[In1N2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9059]
_cell_length_b [4.9059]
_cell_length_c [2.4479]
_cell... |
agm002637192 | AsOsRh2 | data_[As4Os4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2248]
_cell_length_b [6.2248]
_cell_length_c [6.2248]
_c... |
agm002817972 | Ba2BiCo | data_[Ba8Co4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [11.8195]
_cell_length_b [11.8195]
_cell_length_c [4.9878]
... |
agm004106813 | Ta2TeTl | data_[Ta2Tl1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4789]
_cell_length_b [3.4789]
_cell_length_c [7.8096]
_ce... |
agm001379064 | FeLiPaSc | data_[Li4Sc4Pa4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Pa 1.5000 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5891]
_cell_length_b [6.... |
agm005579315 | Pt2Rh3Tc3 | data_[Tc6Pt4Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.7188]
_cell_length_b [10.7406]
_cell_length_c [8.2153]
_c... |
agm002277344 | Ge2PrSr | data_[Sr4Pr4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5533]
_cell_length_b [7.5533]
_cell_length_c [7.5533]
_c... |
agm003094997 | GaLiS2 | data_[Li4Ga4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4542]
_cell_length_b [3.5080]
_cell_length_c [12.5333]
_cel... |
agm001306490 | AcAuBiSi | data_[Ac4Si4Bi4Au4]
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
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5324]
_cell_length_b [7.... |
agm001302940 | PdPrPtSm | data_[Pr4Sm4Pd4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2168]
_cell_length_b [7.... |
agm004042735 | AsSe2Y | data_[Y1As1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8466]
_cell_length_b [4.8466]
_cell_length_c [3.6873]
_ce... |
agm005570175 | Ac2Ca7Sr2 | data_[Sr4Ca14Ac4]
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
Ac 1.1000 1.9500 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1290]
_cell_length_b [9.6092]
_cell_length_c [8.9955]
_... |
agm004923667 | O6OsPuTl2 | data_[Pu2Tl4Os2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8225]
_cell_length_b [5.... |
agm002579949 | Bi3HfRu | data_[Hf1Bi3Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2511]
_cell_length_b [5.2511]
_cell_length_c [5.2511]
_c... |
agm002906461 | CsMo2Zr | data_[Cs4Zr4Mo8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zr 1.3300 1.5500 0.8600
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.9719]
_cell_length_b [7.9719]
_cell_length_c [5.7770]
_c... |
agm001472729 | AsSc2TcV | data_[Sc2V1Tc1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8962]
_cell_length_b [4.8... |
oqmd-7839346 | AsF2KO2 | data_[K2As2O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2509]
_cell_length_b [3.6632]... |
agm001389365 | FeReScV | data_[Sc4V4Fe4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1376]
_cell_length_b [6.13... |
agm002005115 | Mg2NbZn | data_[Mg6Nb3Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9334]
_cell_length_b [2.9334]
_cell_length_c [31.1094]
_c... |
agm003830906 | BrIn2La | data_[La1In2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7729]
_cell_length_b [4.9261]
_cell_length_c [6.1400]
_ce... |
agm002274510 | FeTa2 | data_[Ta6Fe3]
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
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1644]
_cell_length_b [7.1644]
_cell_length_c [3.2175]
_cell_angle_alpha [90.0000]
_cell_... |
agm005024227 | LaTbThY3 | data_[La2Tb2Y6Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0557]
_cell_length_b [5.1... |
agm004012098 | AuTa2Tl | data_[Ta8Tl4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7912]
_cell_length_b [6.7912]
_cell_length_c [6.7912]
_c... |
agm2000110879 | AgTe2 | data_[Ag1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.1923]
_cell_length_b [3.1923]
_cell_length_c [19.7794]
_cell_angle_alpha [90.0000]
_cell... |
agm001285422 | CdGeNaTb | data_[Na4Tb4Cd4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2241]
_cell_length_b [7.... |
agm002681353 | HMnSc2 | data_[Sc8Mn4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1660]
_cell_length_b [6.1660]
_cell_length_c [6.1660]
_cel... |
agm004268612 | PtScTa | data_[Sc2Ta2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2083]
_cell_length_b [3.2083]
_cell_length_c [10.7074]
_c... |
oqmd-9070024 | AlAuBr3Cl | data_[Al1Au1Br3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2396]
_cell_length_b [6.554... |
agm003636200 | AsGa2Se | data_[Ga2As1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7714]
_cell_length_b [4.1437]
_cell_length_c [5.6170]
_ce... |
agm005403612 | As3LaRh3 | data_[La2As6Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [6.7208]
_cell_length_b [6.7208]
_cell_length_c [6.7208]
_c... |
agm004589745 | CsK2O7Tc2 | data_[Cs3K6Tc6O21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.8652]
_cell_length_b [6.8652]... |
oqmd-9692222 | H2NO5Y | data_[Y2H4N2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.1669]
_cell_length_b [3.6169]
_c... |
agm001516307 | BrLiMo2W | data_[Li1Mo2W1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7692]
_cell_length_b [4.7... |
agm001350790 | AgGdIrPa | data_[Gd4Pa4Ag4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pa 1.5000 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0874]
_cell_length_b [7.... |
agm002966201 | Ca2TiZn2 | data_[Ca4Ti2Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2189]
_cell_length_b [7.2189]
_cell_length_c [4.6976]
_... |
agm003326868 | Au2Cd3Pd3 | data_[Cd3Pd3Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.1079]
_cell_length_b [4.1880]
_cell_length_c [8.2134]
_ce... |
agm005557138 | Pb2Rh3Sb2 | data_[Sb4Rh6Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9186]
_cell_length_b [7.0685]
_cell_length_c [6.9541]
_... |
agm003384494 | Na3Pu4S8 | data_[Na6Pu8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
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 [11.1891]
_cell_length_b [11.4862]
_cell_length_c [7.9502]
_c... |
agm002466432 | FOs3Sb | data_[Sb1Os3F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2962]
_cell_length_b [4.2962]
_cell_length_c [4.2962]
_cel... |
agm005061146 | CaKO4Pa | data_[K4Ca4Pa4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1609]
_cell_length_b [7.2211... |
agm2000080390 | MnSc2Te4 | data_[Sc2Mn1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7559]
_cell_length_b [7.7375]
_cell_length_c [18.8252]
_c... |
agm002750278 | BaHf2Y | data_[Ba4Y4Hf8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Hf 1.3000 1.5500 0.8500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7387]
_cell_length_b [7.7387]
_cell_length_c [7.7387]
_cel... |
agm002627601 | BaMo3Zn | data_[Ba1Zn1Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9810]
_cell_length_b [4.9810]
_cell_length_c [4.9810]
_c... |
agm005694218 | Ge2La6Sn | data_[La24Sn4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.0345]
_cell_length_b [10.4067]
_cell_length_c [10.8302]... |
agm005040656 | N3SrThV | data_[Sr2Th2V2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Th 1.3000 1.8000 1.0800
V 1.6300 1.3500 0.7775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6943]
_cell_length_b [3.605... |
agm004641044 | LiPu2S6Sc3 | data_[Li2Pu4Sc6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pu 1.2800 1.7500 0.9675
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5444]
_cell_length_b [11.3... |
oqmd-6899809 | Ce2Ir2Mg3NdPt | data_[Ce4Nd2Mg6Ir4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
oqmd-3968143 | BiHf2InPd2 | data_[Hf8In4Bi4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.4088]
_cell_length_b [6.... |
agm001399530 | CeInMgZr | data_[Ce4Mg4Zr4In4]
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
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3614]
_cell_length_b [7.... |
agm005587873 | AcBaSr | data_[Ba4Sr4Ac4]
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
Ac 1.1000 1.9500 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0068]
_cell_length_b [4.1691]
_cell_length_c [7.2205]
_c... |
agm005948909 | As2Li8Pb | data_[Li16As4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3548]
_cell_length_b [7.3183]
_cell_length_c [11.7830]
_... |
agm002716657 | ORu2Sc | data_[Sc4Ru8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0399]
_cell_length_b [6.0399]
_cell_length_c [6.0399]
_cel... |
agm003629420 | AsNiPa2 | data_[Pa4Ni2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8204]
_cell_length_b [3.7724]
_cell_length_c [8.1116]
_... |
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