Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004966819 | AuBiK2Tl6 | data_[K12Tl36Bi6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7536]
_cell_length_b [8.7... |
agm001121448 | ErRuSc2 | data_[Er1Sc2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2652]
_cell_length_b [3.2652]
_cell_length_c [8.3125]
_... |
agm003558717 | STe3Y4 | data_[Y12Te9S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2066]
_cell_length_b [4.2066]
_cell_length_c [42.8556]
_cell... |
agm004508253 | Be4GePu2Si3 | data_[Pu2Be4Si3Ge1]
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
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9572]
_cell_length_b [3.... |
oqmd-4939250 | CuSe2TeTlZr | data_[Zr4Tl4Cu4Te4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
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... |
agm005141243 | AlGa2La2Rh5 | data_[La4Al2Ga4Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.0561]
_cell_length_b ... |
oqmd-6058989 | CeCoGeSi2 | data_[Ce2Co2Si4Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2200]
_cell_length_b [4.2... |
agm2000067885 | SbTe2Tl | data_[Tl2Sb2Te4]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.9791]
_cell_length_b [3.7985]
_cell_length_c [13.1791]
_... |
agm004621086 | Nd2P6PmSm3 | data_[Pm2Nd4Sm6P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0059]
_cell_length_b [4.1... |
agm001633686 | CdMgNTi2 | data_[Mg1Ti2Cd1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Cd 1.6900 1.5500 1.0900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1606]
_cell_length_b [4.1... |
oqmd-2323455 | InY2Zr | data_[Y8Zr4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [7.4717]
_cell_length_b [7.4717]
_cell_length_c [7.4717]
_cel... |
agm003886919 | Mg2OsPt | data_[Mg4Os2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7204]
_cell_length_b [8.7248]
_cell_length_c [2.7337]
_ce... |
agm003906075 | Cd2CuW | data_[Cd4Cu2W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0210]
_cell_length_b [2.7256]
_cell_length_c [5.2787]
_cell_... |
agm005983201 | Cd3RuSm4 | data_[Sm4Cd3Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6010]
_cell_length_b [3.6010]
_cell_length_c [16.0429]
... |
agm004069968 | Be2ClSr | data_[Sr2Be4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Be 1.5700 1.0500 0.5900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2390]
_cell_length_b [6.2051]
_cell_length_c [7.1748]
_ce... |
agm001838772 | ErIrTh | data_[Er2Th2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Th 1.3000 1.8000 1.0800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5812]
_cell_length_b [3.5812]
_cell_length_c [11.8294]
_c... |
agm002732891 | IMoSc2 | data_[Sc8Mo4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mo 2.1600 1.4500 0.7750
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9340]
_cell_length_b [6.9340]
_cell_length_c [6.9340]
_cel... |
mp-1519994 | EuLaNbO6Sr | data_[Sr2La2Eu2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
agm006107639 | Dy4ErN5 | data_[Dy8Er2N10]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [7.7461]
_cell_length_b [7.7461]
_cell_length_c [4.8993]
_cel... |
agm002602516 | Nb3SiY | data_[Y1Nb3Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8035]
_cell_length_b [4.8035]
_cell_length_c [4.8035]
_cel... |
agm001053126 | AcCoPd | data_[Ac2Co2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Co 1.8800 1.3500 0.7683
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6115]
_cell_length_b [3.6115]
_cell_length_c [9.8868]
_... |
agm001940932 | PPbSn2 | data_[Sn6P3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6531]
_cell_length_b [3.6531]
_cell_length_c [29.4339]
_cel... |
agm003390381 | Ac2Ge2Pd | data_[Ac8Ge8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5213]
_cell_length_b [4.5449]
_cell_length_c [11.6641]
_... |
agm004868584 | Fe2MnO4Zn | data_[Mn4Zn4Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7380]
_cell_length_b [8.89... |
mp-1181883 | CaO6Ti2 | data_[Ca4Ti8O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.0353]
_cell_length_b [8.9610]
_cell_length_c [5.2257]
_... |
agm005768953 | Be17CoCr | data_[Be51Cr3Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.1509]
_cell_length_b [7.1509]
_cell_length_c [10.5613]
_c... |
agm002692566 | Li2MgZr | data_[Li8Mg4Zr4]
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
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7014]
_cell_length_b [6.7014]
_cell_length_c [6.7014]
_c... |
agm004684487 | Br3Ir3Nd8S | data_[Nd24Ir9S3Br9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4431]
_cell_length_b [8.44... |
agm005783708 | La4OsPt | data_[La16Os4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7787]
_cell_length_b [7.1645]
_cell_length_c [7.2007]
_... |
agm003715752 | AcPt3Sn | data_[Ac2Sn2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.7939]
_cell_length_b [7.5854]
_cell_length_c [5.5245]
_ce... |
agm002788111 | AlPdSi2 | data_[Al4Si8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6217]
_cell_length_b [5.6217]
_cell_length_c [11.0456]
_... |
agm005736848 | Ag6AuZn | data_[Zn2Ag12Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7256]
_cell_length_b [5.8294]
_cell_length_c [10.1882]
_... |
oqmd-9783294 | Ge2NbRh2Ta | data_[Ta4Nb4Ge8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.1352]
_cell_length_b [3.916... |
agm003585763 | Cu8In3Pm | data_[Pm1In3Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0918]
_cell_length_b [5.0918]
_cell_length_c [8.5543]
_ce... |
agm004107210 | CdCoHg2 | data_[Cd2Co2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9078]
_cell_length_b [4.4948]
_cell_length_c [12.7704]
_c... |
agm004250854 | HgPt2Sb | data_[Hg2Sb2Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2168]
_cell_length_b [4.4120]
_cell_length_c [11.3173]
_c... |
agm004904261 | AcO8Pr2Sb | data_[Ac1Pr2Sb1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4910]
_cell_length_b [7.393... |
agm004861680 | Ac2KTbTe4 | data_[K1Ac2Tb1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ac 1.1000 1.9500 1.2600
Tb 1.1000 1.7500 0.9815
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0328]
_cell_length_b [4.637... |
agm005075802 | MnO6PbPt | data_[Mn2Pt2Pb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1711]
_cell_length_b [5.1... |
agm002851786 | Mg2TcTe | data_[Mg8Tc4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [10.2213]
_cell_length_b [10.2213]
_cell_length_c [4.977... |
agm003647072 | HgNa5Tl4 | data_[Na5Tl4Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7356]
_cell_length_b [3.7356]
_cell_length_c [19.8086]
... |
agm004075988 | LiOs2Sb | data_[Li1Sb1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9251]
_cell_length_b [2.9251]
_cell_length_c [8.2811]
_ce... |
agm001497555 | CMg2MoN | data_[Mg2Mo1C1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7526]
_cell_length_b [3.752... |
mp-505731 | Ba2CoO8P2 | data_[Ba8Co4P8O32]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3856]
_cell_length_b [9.01... |
oqmd-8970734 | Cu3Lu4N3W2 | data_[Lu16Cu12W8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7623]
_cell_length_b [5.68... |
agm004863549 | Er2HoSc4Th | data_[Ho1Er2Th1Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9055]
_cell_length_b [4... |
agm005853970 | ReTc2Ti2 | data_[Ti4Re2Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1103]
_cell_length_b [16.4430]
_cell_length_c [3.0644]
_c... |
agm001786429 | AlAsKSe2 | data_[K1Al1As1Se2]
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
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 [5.1657]
_cell_length_b [5.1... |
agm003601975 | FePmSi | data_[Pm2Fe2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0498]
_cell_length_b [4.0498]
_cell_length_c [6.8724]
_... |
agm003460749 | CuRb4S2 | data_[Rb12Cu3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7903]
_cell_length_b [5.7903]
_cell_length_c [28.0570]
_ce... |
agm004708536 | Pd4RbSe12Ta3 | data_[Rb3Ta9Pd12Se36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ta 1.5000 1.4500 0.8200
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [15.0154]
_cell_length_b [1... |
agm005916371 | Bi3InN | data_[In2Bi6N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9290]
_cell_length_b [6.5891]
_cell_length_c [9.2830]
_cell_... |
agm004835392 | AcK2SmTe4 | data_[K2Ac1Sm1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1679]
_cell_length_b [4.709... |
agm002655642 | Ca2MoPd | data_[Ca8Mo4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1910]
_cell_length_b [7.1910]
_cell_length_c [7.1910]
_c... |
agm005550405 | Ca15Sm2Sr2 | data_[Sr6Ca45Sm6]
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
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.5619]
_cell_length_b [12.5619]
_cell_length_c [18.7191]... |
agm006044707 | H4RuTc8 | data_[Tc16H8Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
H 2.2000 0.2500 0.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4599]
_cell_length_b [2.8129]
_cell_length_c [9.3389]
_ce... |
oqmd-9652087 | CuHoSb2 | data_[Ho2Cu2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3031]
_cell_length_b [4.3031]
_cell_length_c [9.7890]
_... |
oqmd-9757489 | B2DyP2Rh2Y | data_[Dy1Y1B2P2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3... |
agm001650761 | HPtSn2Te | data_[Sn2Te1H1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3600]
_cell_length_b [5.3... |
agm004665857 | Ac3Li2Pd6Sn | data_[Li2Ac3Sn1Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9997]
_cell_length_b [5.... |
agm003829431 | AsIn2Zn | data_[Zn2In4As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.6266]
_cell_length_b [4.6266]
_cell_length_c [8.4995]
_c... |
agm003354702 | Ag2S8Sn3 | data_[Ag4Sn6S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6799]
_cell_length_b [7.3399]
_cell_length_c [6.6465]
_ce... |
agm005758175 | CeI6Nd2 | data_[Ce2Nd4I12]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4340]
_cell_length_b [4.2528]
_cell_length_c [9.5718]
_ce... |
agm003431859 | ErRh3Tm2 | data_[Er1Tm2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3861]
_cell_length_b [3.3861]
_cell_length_c [10.1285]
... |
agm001815786 | MnNd2Tb | data_[Tb1Nd2Mn1]
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
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6265]
_cell_length_b [3.6265]
_cell_length_c [8.9275]
_... |
agm004578643 | Ag2AuI6Tl2 | data_[Tl4Ag4Au2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6655]
_cell_length_b [7.9... |
agm003085311 | InKSn | data_[K4In4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.0886]
_cell_length_b [4.4600]
_cell_length_c [7.0382]
_cell_... |
agm005196336 | AcLaNSn | data_[Ac2La2Sn2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.9878]
_cell_length_b [4.9... |
agm003772078 | DyGa6Pu | data_[Dy1Pu1Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.2110]
_cell_length_b [6.2110]
_cell_length_c [4.6433]
_c... |
agm003790935 | Cr2KTa | data_[K2Ta2Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1271]
_cell_length_b [4.6914]
_cell_length_c [10.0673]
_cel... |
agm003627221 | Ce2IrSe | data_[Ce4Ir2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.0576]
_cell_length_b [5.8950]
_cell_length_c [8.5367]
_ce... |
agm002977088 | Co2FeGe2 | data_[Fe2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7240]
_cell_length_b [6.7240]
_cell_length_c [2.6749]
_... |
agm003569558 | Nd3SmTm6 | data_[Nd6Sm2Tm12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.9896]
_cell_length_b [3.5206]
_cell_length_c [14.2661... |
agm004514208 | IrPt3Si4Y2 | data_[Y2Si4Ir1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1141]
_cell_length_b [4.11... |
oqmd-9136309 | AsClF6O2 | data_[As1Cl1O2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4575]
_cell_length_b [5.3498]... |
agm004623656 | Ba2O6PtRb3 | data_[Rb6Ba4Pt2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4853]
_cell_length_b [11.2... |
agm003386650 | DySc2Tm2 | data_[Dy4Tm8Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.8729]
_cell_length_b [6.8665]
_cell_length_c [5.9498]
... |
agm005563827 | Sb2Si2Sm5 | data_[Sm20Si8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.4489]
_cell_length_b [7.9986]
_cell_length_c [8.0307]
_... |
agm001964342 | IPdSm2 | data_[Sm6Pd3I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6016]
_cell_length_b [3.6016]
_cell_length_c [31.5012]
_cel... |
agm003553483 | Ag3CdSr4 | data_[Sr4Cd1Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4810]
_cell_length_b [4.8652]
_cell_length_c [12.1214]
_c... |
agm001165811 | Cd3Pm12Te5 | data_[Pm96Cd24Te40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.2939]
_cell_length_b [18.2939]
_cell_length_c [18.29... |
agm002550117 | I3NaRb | data_[Rb1Na1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.8800]
_cell_length_b [6.8800]
_cell_length_c [6.8800]
_cel... |
agm001577696 | Al2FeRbSb | data_[Rb1Al2Fe1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6127]
_cell_length_b [5... |
oqmd-4120426 | MgP | data_[Mg1P1]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4853]
_cell_length_b [3.4853]
_cell_length_c [2.8187]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003947154 | ClCu2Ru | data_[Cu4Ru2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8130]
_cell_length_b [4.0155]
_cell_length_c [11.9443]
_c... |
agm006036745 | AcNd4Sm3 | data_[Ac2Nd8Sm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [10.4333]
_cell_length_b [7.4104]
_cell_length_c [7.3983]
_c... |
agm002750183 | PtWY2 | data_[Y8Pt4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0131]
_cell_length_b [7.0131]
_cell_length_c [7.0131]
_cell_... |
agm001022740 | AcCdSm | data_[Ac4Sm4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9829]
_cell_length_b [3.8092]
_cell_length_c [9.4923]
_c... |
agm005667118 | As2PmTb | data_[Tb4Pm4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.9230]
_cell_length_b [5.9230]
_cell_length_c [11.8519... |
agm005523057 | Ag3Mo5 | data_[Ag6Mo10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.1339]
_cell_length_b [8.1339]
_cell_length_c [4.7993]
_cell_angle_alpha [90.0000]
_c... |
agm004953499 | Cr2FeMnO6 | data_[Mn1Cr2Fe1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
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 [P1]
_cell_length_a [5.0314]
_cell_length_b [5.0493]... |
agm003306798 | Cd3Sm2Sn2 | data_[Sm4Cd6Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2565]
_cell_length_b [21.3423]
_cell_length_c [4.3115]
_c... |
agm005790396 | Nb3Tc2V | data_[Nb3V1Tc2]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1808]
_cell_length_b [3.1808]
_cell_length_c [9.6027]
_ce... |
oqmd-3524672 | BeSbY | data_[Y4Be4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Be 1.5700 1.0500 0.5900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6776]
_cell_length_b [6.6776]
_cell_length_c [6.6776]
_cel... |
agm005513259 | Ca4MgZn | data_[Ca8Mg2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.7605]
_cell_length_b [3.7129]
_cell_length_c [9.4267]
_c... |
oqmd-9192186 | Te2V | data_[V8Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [3.5707]
_cell_length_b [6.2008]
_cell_length_c [31.1583]
_cell_angle_alpha [90.0000]
_cell... |
agm003954463 | AgCl2Os | data_[Ag1Os1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0307]
_cell_length_b [3.0307]
_cell_length_c [9.4798]
_... |
agm004083066 | ClCuTc | data_[Cu1Tc1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Tc 1.9000 1.3500 0.7417
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3148]
_cell_length_b [4.3148]
_cell_length_c [2.7222]
_c... |
oqmd-9207292 | Br4CeH2U | data_[Ce1U1H2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9681]
_cell_length_b [3.9681... |
agm001833820 | CuLuSc | data_[Lu2Sc2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.3140]
_cell_length_b [3.3140]
_cell_length_c [11.8099]
_c... |
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