Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-4205607 | CeHgTi | data_[Ce4Ti4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ti 1.5400 1.4000 0.8517
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1246]
_cell_length_b [7.1246]
_cell_length_c [7.1246]
_c... |
agm2000062910 | IPZr | data_[Zr2P2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5866]
_cell_length_b [21.5396]
_cell_length_c [6.4312]
_cel... |
agm004269333 | AgPbW2 | data_[Ag1Pb1W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9037]
_cell_length_b [4.8779]
_cell_length_c [5.3498]
_cell... |
agm003985907 | ClLaTe | data_[La2Te2Cl2]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0543]
_cell_length_b [4.0543]
_cell_length_c [10.3370]
_c... |
agm005459974 | PtSeZn4 | data_[Zn16Pt4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2600]
_cell_length_b [7.2600]
_cell_length_c [7.2600]
_... |
oqmd-9412484 | NdScSn | data_[Nd2Sc2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5142]
_cell_length_b [4.5142]
_cell_length_c [8.2990]
_... |
agm002824906 | Al2CsF | data_[Cs4Al8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.1705]
_cell_length_b [5.1705]
_cell_length_c [18.1618]
... |
agm005542169 | MgNa2 | data_[Na2Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0853]
_cell_length_b [4.2827]
_cell_length_c [5.5069]
_cell_angle_alpha [72.3282]
_cell_an... |
agm001818698 | Ca12F5Ir3 | data_[Ca96Ir24F40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [15.6495]
_cell_length_b [15.6495]
_cell_length_c [15.6495... |
agm006023172 | IO6Zn3 | data_[Zn18I6O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.7803]
_cell_length_b [8.7803]
_cell_length_c [11.0745]
_cell... |
agm001057428 | MnNNb | data_[Mn6Nb6N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-62c]
_cell_length_a [5.2472]
_cell_length_b [5.2472]
_cell_length_c [9.0283]
_cel... |
agm005947822 | Al9Pm2Sr | data_[Sr3Pm6Al27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7327]
_cell_length_b [5.7327]
_cell_length_c [26.5246]
_... |
agm003971356 | AuCr2Pt | data_[Cr2Pt1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7185]
_cell_length_b [2.7185]
_cell_length_c [7.8236]
_... |
agm004638902 | Cs3La2Se6Th | data_[Cs6La4Th2Se12]
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
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6851]
_cell_length_b [13... |
oqmd-2541355 | AgAuCoPb | data_[Co4Ag4Pb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6198]
_cell_length_b [6.... |
agm004618530 | Cl3IrOs2Pr6 | data_[Pr12Ir2Os4Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1640]
_cell_length_b [12... |
agm004096719 | CrHgRu | data_[Cr4Hg4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Hg 2.0000 1.5000 1.2450
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0135]
_cell_length_b [6.0135]
_cell_length_c [6.0135]
_c... |
agm005889165 | Dy3ErTh3 | data_[Dy6Er2Th6]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.4893]
_cell_length_b [9.4893]
_cell_length_c [5.7839]
_... |
agm001538566 | MnNbOsTc2 | data_[Mn1Nb1Tc2Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3672]
_cell_length_b [4... |
agm2000083557 | Al2AsCl3 | data_[Al4As2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [19.0590]
_cell_length_b [3.7949]
_cell_length_c [18.9653]
_ce... |
agm002693594 | LiMoTl2 | data_[Li4Tl8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9089]
_cell_length_b [6.9089]
_cell_length_c [6.9089]
_c... |
agm004520746 | AlCu4Si3Sr2 | data_[Sr2Al1Cu4Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1731]
_cell_length_b [4.... |
agm005981269 | MnOs3Ti4 | data_[Ti4Mn1Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.6483
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0653]
_cell_length_b [3.0653]
_cell_length_c [12.2732]
... |
agm004460020 | OPb | data_[Pb16O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.3954]
_cell_length_b [8.7775]
_cell_length_c [9.9957]
_cell_angle_alpha [90.0000]
_cell_a... |
agm002682609 | GeHRu2 | data_[Ge4H4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8188]
_cell_length_b [5.8188]
_cell_length_c [5.8188]
_cel... |
agm001908216 | CrMnRuTi | data_[Ti4Mn4Cr4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.6483
Cr 1.6600 1.4000 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0452]
_cell_length_b [6.... |
oqmd-5269886 | CaH2I2S7 | data_[Ca4H8S28I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6651]
_cell_length_b [9.6204]... |
agm002606855 | AuReSr3 | data_[Sr3Re1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Re 1.9000 1.3500 0.7125
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6847]
_cell_length_b [5.6847]
_cell_length_c [5.6847]
_c... |
agm004098016 | CrCuRh2 | data_[Cr2Cu2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.6929]
_cell_length_b [3.6929]
_cell_length_c [7.8273]
_c... |
agm002695941 | LiTaZr2 | data_[Li4Zr8Ta4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7853]
_cell_length_b [6.7853]
_cell_length_c [6.7853]
_c... |
agm001929479 | BiEu2O | data_[Eu6Bi3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7822]
_cell_length_b [3.7822]
_cell_length_c [23.6570]
_cel... |
agm004840777 | N4Na2PuZr | data_[Na2Pu1Zr1N4]
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
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7389]
_cell_length_b [3.400... |
oqmd-3320312 | LiOTeTm | data_[Li4Tm4Te4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7724]
_cell_length_b [7.3... |
oqmd-5583894 | CeF6KRb2 | data_[K1Rb2Ce1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Ce 1.1200 1.8500 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4977]
_cell_length_b [6.5019]
... |
agm005654567 | Ga9Nd2Ru6 | data_[Nd2Ga9Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5174]
_cell_length_b [5.5174]
_cell_length_c [12.0636]
... |
agm006010919 | Ag8Pd6Pt | data_[Ag8Pd6Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.5847]
_cell_length_b [7.5847]
_cell_length_c [5.5441]
_cel... |
agm002674353 | Fe2HfLa | data_[La4Hf4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5919]
_cell_length_b [6.5919]
_cell_length_c [6.5919]
_c... |
agm006115026 | GaPb5Sn4 | data_[Ga1Sn4Pb5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1075]
_cell_length_b [4.1075]
_cell_length_c [17.3254]
... |
agm001468236 | Fe2PdSeSr | data_[Sr1Fe2Pd1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6932]
_cell_length_b [4... |
agm005689506 | PaRuY | data_[Y4Pa4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pa 1.5000 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0132]
_cell_length_b [6.0530]
_cell_length_c [7.1418]
_ce... |
agm001619610 | HLiPd2Te | data_[Li1Te1H1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1058]
_cell_length_b [4.1... |
agm001157058 | CrPa2Pb | data_[Pa2Cr1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1947]
_cell_length_b [3.1947]
_cell_length_c [8.9144]
_... |
agm002096639 | LiSeZn | data_[Li2Zn2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.0859]
_cell_length_b [4.0926]
_cell_length_c [4.5957]
_cell... |
agm006023770 | HgHo2S4 | data_[Ho16Hg8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.2915]
_cell_length_b [11.2915]
_cell_length_c [11.2915]... |
agm2000088734 | FTaTe2 | data_[Ta2Te4F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1488]
_cell_length_b [7.2705]
_cell_length_c [17.8396]
_cell_... |
agm004689075 | Ce3Li3MnSe8 | data_[Li9Ce9Mn3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Mn 1.5500 1.4000 0.6483
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2048]
_cell_length_b [8.... |
oqmd-9754480 | Al2CoEr | data_[Er4Al8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1563]
_cell_length_b [18.2047]
_cell_length_c [3.7891]
_c... |
agm004595733 | C2N3STi6 | data_[Ti12C4S2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5184]
_cell_length_b [3.1078]... |
agm001554465 | BeN2NbRu | data_[Be1Nb1Ru1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6001]
_cell_length_b [3.6... |
agm004738197 | ErIn2La2Y | data_[La4Y2Er2In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.1369]
_cell_length_b [10.... |
agm002709655 | AsBrNa2 | data_[Na8As4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5011]
_cell_length_b [7.5011]
_cell_length_c [7.5011]
_c... |
agm004850586 | CeSe4SrY2 | data_[Sr1Ce1Y2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2779]
_cell_length_b [4.168... |
agm001177318 | KPd4Pr | data_[K4Pr4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pr 1.1300 1.8500 1.0600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8471]
_cell_length_b [7.8471]
_cell_length_c [7.8471]
_ce... |
agm003407367 | CeIr2Ti2 | data_[Ce2Ti4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2682]
_cell_length_b [4.2682]
_cell_length_c [10.8473]
... |
agm001646823 | BeCuLaPt2 | data_[La1Be1Cu1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5293]
_cell_length_b [4... |
agm005079358 | GaNpO6Sm | data_[Sm2Np2Ga2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Np 1.3600 1.7500 1.0000
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.3278]
_cell_length_b [5.3... |
agm2000115694 | Br5Ce3 | data_[Ce3Br5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.8084]
_cell_length_b [6.8084]
_cell_length_c [19.5482]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-7124874 | AsCaOYb | data_[Ca2Yb2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5067]
_cell_length_b [7.5... |
agm004133035 | In2KSr | data_[K1Sr1In2]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9833]
_cell_length_b [3.9833]
_cell_length_c [9.8916]
_cell... |
agm005899432 | Cs3NaRb12 | data_[Cs3Rb12Na1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.2348]
_cell_length_b [7.2348]
_cell_length_c [27.8722]... |
agm004507158 | Ge4PdPt3Th2 | data_[Th2Ge4Pd1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3928]
_cell_length_b [4.... |
agm005469700 | La2Re | data_[La4Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7735]
_cell_length_b [4.7735]
_cell_length_c [8.0987]
_cell_angle_alpha [90.0000]
_ce... |
agm001958162 | AuEuGd2 | data_[Eu3Gd6Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Gd 1.2000 1.8000 1.0750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8729]
_cell_length_b [3.8729]
_cell_length_c [30.4039]
_c... |
oqmd-9954787 | Ba3O6Os | data_[Ba6Os2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0839]
_cell_length_b [6.0839]
_cell_length_c [9.0063]
_cel... |
agm004651289 | Ce3Dy2Sb6Tm | data_[Ce6Dy4Tm2Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
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 [7.6855]
_cell_length_b [13... |
agm002824892 | F2YZn | data_[Y4Zn4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.4135]
_cell_length_b [4.4135]
_cell_length_c [14.6019]
_cell... |
agm005921393 | AlLi2Y2 | data_[Li4Y4Al2]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9568]
_cell_length_b [5.0079]
_cell_length_c [9.5931]
_cell... |
agm002266688 | Cu2GaYb2 | data_[Yb4Ga2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2287]
_cell_length_b [7.2287]
_cell_length_c [3.7861]
_... |
agm004992563 | NPa2SSe | data_[Pa8Se4S4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2629]
_cell_length_b [3.8180... |
agm003382219 | Al4Hf4Zr3 | data_[Hf8Zr6Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.1083]
_cell_length_b [8.1083]
_cell_length_c [8.1083]
_c... |
agm002826713 | FKTl2 | data_[K4Tl8F4]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6645]
_cell_length_b [5.6645]
_cell_length_c [18.3109]
_cell... |
agm005011312 | AcInOSr2 | data_[Sr2Ac1In1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2311]
_cell_length_b [5.2... |
agm001563772 | Nb2ScTaZr | data_[Zr1Sc1Ta1Nb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6763]
_cell_length_b [4... |
agm2000034145 | I2Pt | data_[Pt2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5388]
_cell_length_b [5.5388]
_cell_length_c [20.3024]
_cell_angle_alpha [90.0000]
_cell_... |
agm2000072181 | As2EuTl | data_[Eu1Tl1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9796]
_cell_length_b [4.9796]
_cell_length_c [17.9899]
_... |
agm004907646 | Ag2Br8KSe | data_[K1Ag2Se1Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5432]
_cell_length_b [8.658... |
agm004831786 | GaPTe2Tm4 | data_[Tm4Ga1Te2P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2289]
_cell_length_b [4.072... |
agm004924622 | Br6Cs2CuRh | data_[Cs4Cu2Rh2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.3608]
_cell_length_b [... |
agm004789715 | CdHg2PtSm4 | data_[Sm12Cd3Hg6Pt3]
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
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2921]
_cell_length_b [5.... |
agm002290740 | LuN2Na2 | data_[Na2Lu1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Lu 1.2700 1.7500 1.0010
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4947]
_cell_length_b [3.4947]
_cell_length_c [8.6193]
_cel... |
agm004556538 | Al2CDy2Tc2 | data_[Dy4Al4Tc4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Tc 1.9000 1.3500 0.7417
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4275]
_cell_length_b [3.43... |
agm002985149 | AuK2Ni2 | data_[K4Ni4Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.5372]
_cell_length_b [6.5372]
_cell_length_c [5.2693]
_ce... |
agm005201474 | IPmPrRh | data_[Pm3Pr3Rh3I3]
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
Rh 2.2800 1.3500 0.7450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1709]
_cell_length_b [4.1709... |
agm003863148 | InPbW2 | data_[In2Pb2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3511]
_cell_length_b [4.9324]
_cell_length_c [9.4298]
_cell... |
oqmd-3770869 | HoLaLi | data_[Li4La4Ho4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2274]
_cell_length_b [7.2274]
_cell_length_c [7.2274]
_c... |
agm001619648 | CLa2MgTl | data_[La2Mg1Tl1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3174]
_cell_length_b [5.3... |
agm001564585 | BiCdMnPd2 | data_[Mn1Cd1Bi1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9731]
_cell_length_b [4... |
agm001142944 | Eu2HoLi | data_[Li1Eu2Ho1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7981]
_cell_length_b [3.7981]
_cell_length_c [9.4268]
_... |
agm002745214 | BrPd2Ti | data_[Ti4Pd8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5414]
_cell_length_b [6.5414]
_cell_length_c [6.5414]
_c... |
agm001845567 | GeYZn | data_[Y2Zn2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0034]
_cell_length_b [4.0034]
_cell_length_c [8.3328]
_cell... |
oqmd-6980801 | PrPuTb | data_[Tb4Pr4Pu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5278]
_cell_length_b [7.5278]
_cell_length_c [7.5278]
_c... |
agm004545790 | Au2Bi2PdSb2 | data_[Bi4Sb4Pd2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0545]
_cell_length_b [4.... |
agm003825164 | LaRhSe2 | data_[La4Rh4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0167]
_cell_length_b [7.0167]
_cell_length_c [7.0167]
_c... |
mp-1200445 | H14NiO12P2 | data_[Ni2P4H28O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.3019]
_cell_length_b [5.962... |
agm005539492 | NTl | data_[Tl4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9022]
_cell_length_b [3.4006]
_cell_length_c [12.4544]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005911761 | DyHgPm4 | data_[Pm4Dy1Hg1]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6656]
_cell_length_b [3.6656]
_cell_length_c [14.1617]
... |
agm005157967 | CeCuNp2S5 | data_[Ce4Np8Cu4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Np 1.3600 1.7500 1.0000
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8069]
_cell_length_b [16... |
agm004692084 | ErK3Np3Se8 | data_[K9Er3Np9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Er 1.2400 1.7500 1.0300
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4033]
_cell_length_b [8.40... |
agm002570727 | LaPV3 | data_[La1V3P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5788]
_cell_length_b [4.5788]
_cell_length_c [4.5788]
_cell_... |
agm001142948 | Eu2LiTb | data_[Li1Tb1Eu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tb 1.1000 1.7500 0.9815
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8182]
_cell_length_b [3.8182]
_cell_length_c [9.4003]
_... |
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