Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
mp-1516553 | BiEuKO6Zr | data_[K4Eu4Zr4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Eu 1.2000 1.8500 1.1985
Zr 1.3300 1.5500 0.8600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnnn]
_cell_length_a... |
agm005756163 | Pt6SbTb | data_[Tb1Sb1Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1036]
_cell_length_b [4.1036]
_cell_length_c [8.2225]
_... |
agm005001840 | CCuHgTh2 | data_[Th4Cu2Hg2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1288]
_cell_length_b [3.8... |
agm005562347 | Hg2In2Mg3 | data_[Mg6In4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.3636]
_cell_length_b [29.2019]
_cell_length_c [3.2852]
_c... |
agm001488296 | AgMg2SbW | data_[Mg2Ag1Sb1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2640]
_cell_length_b [5.2... |
agm002593084 | La3RbSc | data_[Rb1La3Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.0566]
_cell_length_b [6.0566]
_cell_length_c [6.0566]
_c... |
agm003773799 | AcDyPm6 | data_[Ac1Pm6Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1997]
_cell_length_b [5.1997]
_cell_length_c [10.3968]
... |
agm003738809 | NRuZr4 | data_[Zr8Ru2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [6.3530]
_cell_length_b [5.3983]
_cell_length_c [6.9277]
_cell... |
agm004998514 | DyHo2TbTh | data_[Tb2Dy2Ho4Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.4775]
_cell_length_b [6.3... |
oqmd-6575527 | Cs2H2SSe | data_[Cs2H2Se1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9640]
_cell_length_b [5.4717]
_... |
agm003702511 | CdDy12Er7 | data_[Dy36Er21Cd3]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.7254]
_cell_length_b [14.7254]
_cell_length_c [10.0033]... |
agm005556867 | Pm2Pr3Sc2 | data_[Pm4Pr6Sc4]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7067]
_cell_length_b [3.5490]
_cell_length_c [8.7115]
_c... |
agm005449859 | Cd2In | data_[Cd8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.2674]
_cell_length_b [3.2674]
_cell_length_c [28.1088]
_cell_angle_alpha [90.0000]
_c... |
oqmd-2635738 | BiFeNbY | data_[Y4Nb4Fe4Bi4]
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
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8433]
_cell_length_b [6.84... |
agm006052890 | H4Ni2Zr | data_[Zr4Ni8H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.6226]
_cell_length_b [5.6226]
_cell_length_c [6.8917]
... |
agm005992498 | Ga2Ho4Zn | data_[Ho8Zn2Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.0094]
_cell_length_b [7.0094]
_cell_length_c [7.1418]
_... |
agm004056714 | BaLaSi | data_[Ba1La1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0083]
_cell_length_b [5.0083]
_cell_length_c [4.9893]
_ce... |
agm003635144 | AuHLa2 | data_[La8H4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8416]
_cell_length_b [4.0155]
_cell_length_c [7.2516]
_cel... |
agm003646083 | AuMg4Pr5 | data_[Pr5Mg4Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8822]
_cell_length_b [3.8822]
_cell_length_c [19.2599]
... |
agm004874642 | HfO8PbTe2 | data_[Hf2Te4Pb2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1209]
_cell_length_b [6.97... |
oqmd-6148849 | Co7Er3Fe2 | data_[Er9Fe6Co21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0152]
_cell_length_b [5.0152]
_cell_length_c [23.6352]
_... |
agm003872868 | ClSb2W | data_[Sb4W2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0410]
_cell_length_b [5.1004]
_cell_length_c [14.6352]
_cel... |
agm002447467 | CaClSb3 | data_[Ca1Sb3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7559]
_cell_length_b [5.7559]
_cell_length_c [5.7559]
_c... |
agm004169727 | Cd2LiTc | data_[Li3Cd6Tc3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8942]
_cell_length_b [2.8942]
_cell_length_c [29.0586]
_c... |
agm001353582 | AcAgErIn | data_[Ac4Er4In4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7669]
_cell_length_b [7.... |
oqmd-9857634 | HgN2Ti4Zn | data_[Ti4Zn1Hg1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.0598]
_cell_length_b [3.05... |
agm001622249 | CdHPtSr2 | data_[Sr2Cd1H1Pt1]
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
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 [5.5177]
_cell_length_b [5.5... |
agm002735739 | RbSe2Ta | data_[Rb4Ta4Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1112]
_cell_length_b [7.1112]
_cell_length_c [7.1112]
_c... |
agm003719517 | AgLi3Na | data_[Na2Li6Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0512]
_cell_length_b [7.0512]
_cell_length_c [5.5342]... |
agm004335558 | BrFe2Mg | data_[Mg3Fe6Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2361]
_cell_length_b [3.2361]
_cell_length_c [23.3611]
_ce... |
oqmd-2608022 | CuHgTaZn | data_[Ta4Zn4Cu4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4312]
_cell_length_b [6.... |
agm001566512 | CuMgS2Si | data_[Mg1Cu1Si1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8134]
_cell_length_b [4.8... |
agm002364557 | Ba2DyNdO6 | data_[Ba4Nd2Dy2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.2759]
_cell_length_b [6.27... |
oqmd-9442281 | K3O3Sc | data_[K12Sc4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2094]
_cell_length_b [11.4583]
_cell_length_c [6.7055]
_cel... |
oqmd-6854355 | CNbSSn | data_[Nb2Sn2C2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4567]
_cell_length_b [3.4567... |
agm005850260 | Cl7K2Np | data_[K8Np4Cl28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Np 1.3600 1.7500 1.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1352]
_cell_length_b [8.7103]
_cell_length_c [12.2535]
_c... |
agm003571862 | FeSn3Tm6 | data_[Tm36Fe6Sn18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.9199]
_cell_length_b [12.9199]
_cell_length_c [12.1155]... |
agm002815889 | ClMn2Se | data_[Mn8Se4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.1553]
_cell_length_b [5.1553]
_cell_length_c [10.3335]
_... |
agm003840353 | Cr2ScTe | data_[Sc2Cr4Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9999]
_cell_length_b [3.9999]
_cell_length_c [8.8904]
_c... |
agm003003895 | In2LaNi2 | data_[La2In4Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1184]
_cell_length_b [8.1184]
_cell_length_c [2.9683]
_... |
agm005827285 | H3Nd2Tl | data_[Nd8Tl4H12]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1399]
_cell_length_b [3.8596]
_cell_length_c [7.9696]
_ce... |
agm003773025 | Al6GaRu | data_[Al18Ga3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9723]
_cell_length_b [8.9723]
_cell_length_c [5.6667]
_c... |
agm002285118 | BaCoMg2 | data_[Ba4Mg8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3684]
_cell_length_b [11.6081]
_cell_length_c [8.2338]
_c... |
agm001913819 | LiMnTmY | data_[Li4Y4Tm4Mn4]
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
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0750]
_cell_length_b [7.07... |
oqmd-4684130 | Mn2OS | data_[Mn8S4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5183]
_cell_length_b [13.1766]
_cell_length_c [5.7523]
_cel... |
agm002887410 | Au2MnSc | data_[Sc4Mn4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.0577]
_cell_length_b [4.0577]
_cell_length_c [18.9509]
_... |
agm003546570 | La3Rh3Sn | data_[La6Sn2Rh6]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.8675]
_cell_length_b [8.8675]
_cell_length_c [5.7050]
_... |
agm001444094 | HMgP2Ti | data_[Mg1Ti1P2H1]
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
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0316]
_cell_length_b [5.031... |
agm005741489 | Al10Mn2Y | data_[Y4Mn8Al40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.9890]
_cell_length_b [10.2204]
_cell_length_c [9.0462]
_ce... |
agm002238774 | CsSc | data_[Cs1Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5965]
_cell_length_b [4.5965]
_cell_length_c [4.5965]
_cell_angle_alpha [90.0000]
_cell_... |
agm003920805 | CdCo2Y | data_[Y3Cd3Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1936]
_cell_length_b [3.1936]
_cell_length_c [24.7405]
_cel... |
agm002134980 | AlNb | data_[Nb2Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.6878]
_cell_length_b [2.8920]
_cell_length_c [4.9868]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004253387 | LiSb2Se | data_[Li1Sb2Se1]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1430]
_cell_length_b [5.1430]
_cell_length_c [3.4743]
_... |
oqmd-2328286 | GaHfHg2 | data_[Hf4Ga4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9420]
_cell_length_b [6.9420]
_cell_length_c [6.9420]
_c... |
agm001321133 | DyMgSmY | data_[Sm4Dy4Y4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8393]
_cell_length_b [7.83... |
agm002468584 | FPPd3 | data_[P1Pd3F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4753]
_cell_length_b [4.4753]
_cell_length_c [4.4753]
_cell_... |
oqmd-6138241 | Ce2Ge4LaPd2Rh2 | data_[La2Ce4Ge8Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_lengt... |
agm003582966 | Ho3Mg7Tm | data_[Ho6Tm2Mg14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7489]
_cell_length_b [10.2252]
_cell_length_c [6.0095]
... |
agm006092192 | Ag6Cl12Pt | data_[Ag18Pt3Cl36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.2146]
_cell_length_b [11.2146]
_cell_length_c [13.4067]... |
agm002335978 | FePm2Ru | data_[Pm8Fe4Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9167]
_cell_length_b [6.9167]
_cell_length_c [6.9167]
_c... |
agm003398029 | CePb2Pr2 | data_[Ce4Pr8Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.9606]
_cell_length_b [12.3304]
_cell_length_c [6.4745]
_c... |
agm003826398 | InS2Tl | data_[Tl2In2S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0054]
_cell_length_b [6.0882]
_cell_length_c [6.3071]
_cell... |
agm004982907 | ErHo6PrSm2 | data_[Pr4Sm8Ho24Er4]
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
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0467]
_cell_length_b [15... |
agm002454975 | CoOs3Sb | data_[Co1Sb1Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4641]
_cell_length_b [4.4641]
_cell_length_c [4.4641]
_c... |
agm005530301 | Sc2Zn3 | data_[Sc8Zn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2384]
_cell_length_b [25.8756]
_cell_length_c [4.3635]
_cell_angle_alpha [90.0000]
_cell... |
agm2000087807 | Cu3FeSe3 | data_[Fe2Cu6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.0071]
_cell_length_b [11.2021]
_cell_length_c [17.5472]
_ce... |
agm004802527 | AlLi2NdZn4 | data_[Li6Nd3Al3Zn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3277]
_cell_length_b [4.... |
agm004263169 | BrIr2Li | data_[Li1Ir2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5100]
_cell_length_b [3.5100]
_cell_length_c [7.4999]
_... |
agm004883575 | Ag2BaCl8Dy | data_[Ba1Dy1Ag2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.7048]
_cell_length_b [6.70... |
agm2000100888 | P2SiSn | data_[Si2Sn2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [3.1918]
_cell_length_b [20.3012]
_cell_length_c [9.4583]
_cel... |
agm002694755 | Li2MoZr | data_[Li8Zr4Mo4]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3194]
_cell_length_b [6.3194]
_cell_length_c [6.3194]
_c... |
agm001432352 | AsH2NRb | data_[Rb1As1H2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7000]
_cell_length_b [3.700... |
agm003472166 | Ho5In2Pr | data_[Pr2Ho10In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6064]
_cell_length_b [10.4661]
_cell_length_c [12.7481]
... |
mp-30177 | Al8Cr4Y | data_[Y2Al16Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.9220]
_cell_length_b [8.9220]
_cell_length_c [5.0536]
_c... |
agm004663867 | B2O6Rb3Sm | data_[Rb3Sm1B2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7260]
_cell_length_b [5.7260... |
agm003684600 | B6Rh12Zr | data_[Zr3B18Rh36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.2398]
_cell_length_b [10.2398]
_cell_length_c [7.9079]
_... |
agm005984245 | In3RuTm4 | data_[Tm4In3Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4812]
_cell_length_b [3.4812]
_cell_length_c [15.7690]
... |
agm005648332 | Pu2Rh4Sr3 | data_[Sr6Pu4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pu 1.2800 1.7500 0.9675
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1044]
_cell_length_b [4.2783]
_cell_length_c [9.3760]
_c... |
agm005061527 | PuRbS4Th | data_[Rb4Pu4Th4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pu 1.2800 1.7500 0.9675
Th 1.3000 1.8000 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.6073]
_cell_length_b [8.68... |
agm005661778 | Ca2Pd12Si7 | data_[Ca2Si7Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.0750]
_cell_length_b [10.0750]
_cell_length_c [3.8108]
_... |
agm002386277 | LiOs2P2U | data_[Li1U1P2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
U 1.3800 1.7500 0.9913
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0334]
_cell_length_b [4.0334... |
agm001507943 | AsP2STe | data_[Te1As1P2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6212]
_cell_length_b [4.621... |
agm003589948 | NaPd4Sn12 | data_[Na2Sn24Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.5419]
_cell_length_b [9.5419]
_cell_length_c [9.5419]
_c... |
agm004631639 | Er2Ho6LaY3 | data_[La2Y6Ho12Er4]
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
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1538]
_cell_length_b [10.6... |
agm005785162 | BrCs7Rb12 | data_[Cs21Rb36Br3]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [26.9222]
_cell_length_b [26.9222]
_cell_length_c [9.0370]... |
agm005909344 | Ba4Br2Ir | data_[Ba8Ir2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3740]
_cell_length_b [4.5900]
_cell_length_c [7.6511]
_c... |
agm005055769 | LaN4SrTc | data_[Sr2La2Tc2N8]
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
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1195]
_cell_length_b [5.8... |
agm001714609 | FFeI2Te | data_[Fe1Te1I2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8811]
_cell_length_b [5.881... |
agm003753303 | GeHgS4 | data_[Hg4Ge4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3620]
_cell_length_b [16.8609]
_cell_length_c [6.3364]
_ce... |
agm005875227 | Ca2Pd9Sc | data_[Ca2Sc1Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0946]
_cell_length_b [4.0946]
_cell_length_c [12.2412]
... |
agm004961916 | HgI6MgRb2 | data_[Rb2Mg1Hg1I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.2155]
_cell_length_b [8.2643]... |
agm005063250 | AgCl4LiSr | data_[Sr4Li4Ag4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8234]
_cell_length_b [8.... |
agm005612171 | AcAg6Th2 | data_[Ac1Th2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Th 1.3000 1.8000 1.0800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.4962]
_cell_length_b [8.4962]
_cell_length_c [3.5192]
_... |
agm004483475 | Cl6IRb2Zr | data_[Rb4Zr2I2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zr 1.3300 1.5500 0.8600
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.6267]
_cell_length_b [8.... |
agm1000010516 | BeSe | data_[Be4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [31.9582]
_cell_length_b [18.4510]
_cell_length_c [3.7492]
_cell_angle_alpha [90.0000]
_cell... |
agm005705347 | Dy3La4Y8 | data_[La12Dy9Y24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0373]
_cell_length_b [7.0373]
_cell_length_c [35.8917]
_c... |
oqmd-9912776 | CuDy2Sc3Te2Y | data_[Dy4Y2Sc6Cu2Te4]
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
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_... |
oqmd-3243174 | IrLiMnSb | data_[Li4Mn4Sb4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.6483
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2692]
_cell_length_b [6.... |
agm003924806 | Ir2SeZr | data_[Zr2Ir4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6662]
_cell_length_b [7.4008]
_cell_length_c [3.2717]
_ce... |
agm002170426 | O2Sc | data_[Sc4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.1015]
_cell_length_b [5.1015]
_cell_length_c [5.1015]
_cell_angle_alpha [90.0000]
_cell_an... |
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