Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm005884513 | MnSe4Zr2 | data_[Zr16Mn8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.1098]
_cell_length_b [11.1098]
_cell_length_c [11.109... |
oqmd-2840974 | AgFeGaTi | data_[Ti4Ga4Fe4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1979]
_cell_length_b [6.... |
agm001135550 | CaNi2Pr | data_[Ca1Pr1Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4938]
_cell_length_b [3.4938]
_cell_length_c [6.9303]
_... |
agm001615717 | La2LiRuSr | data_[Sr1Li1La2Ru1]
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
La 1.1000 1.9500 1.1720
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4099]
_cell_length_b [5... |
agm005870208 | Mg9Pb2Zn | data_[Mg9Zn1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5576]
_cell_length_b [4.5576]
_cell_length_c [13.1503]
... |
agm001094459 | MoNpPa2 | data_[Np4Pa8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Pa 1.5000 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9833]
_cell_length_b [6.9833]
_cell_length_c [6.9833]
_c... |
oqmd-3459386 | InNaRe | data_[Na4In4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5782]
_cell_length_b [6.5782]
_cell_length_c [6.5782]
_c... |
agm004053675 | BrCuZr | data_[Zr4Cu4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4397]
_cell_length_b [6.4397]
_cell_length_c [6.4397]
_c... |
agm004200532 | BaCaFe2 | data_[Ba1Ca1Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4268]
_cell_length_b [3.4268]
_cell_length_c [8.8331]
_ce... |
agm004262584 | BaPtZr2 | data_[Ba1Zr2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4515]
_cell_length_b [3.4515]
_cell_length_c [8.9757]
_ce... |
agm005040819 | AcHfN3Th | data_[Ac2Hf2Th2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Hf 1.3000 1.5500 0.8500
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5766]
_cell_length_b [3.6... |
agm2000090460 | Cl3NaNi | data_[Na2Ni2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [12.1333]
_cell_length_b [3.9171]
_cell_length_c [18.6292]
_ce... |
oqmd-5598099 | CeHgRbTe3 | data_[Rb2Ce2Hg2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3758]
_cell_length_b [4... |
mp-1203384 | B12H36MgO12 | data_[Mg8B96H288O96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F4_132]
_cell_length_a [16.5853]
_cell_length_b [16... |
agm005631550 | Nd2Tm6Y | data_[Nd4Y2Tm12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.4645]
_cell_length_b [5.4645]
_cell_length_c [21.4985]... |
agm005067056 | Br5DyLiTl | data_[Li4Dy4Tl4Br20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2629]
_cell_length_b [12... |
agm001049987 | HfScU | data_[Hf4Sc4U4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
U 1.3800 1.7500 0.9913
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0207]
_cell_length_b [18.5150]
_cell_length_c [4.8002]
_cel... |
mp-8851 | BaCuO7P2 | data_[Ba2Cu2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2567]
_cell_length_b [7.7110]... |
oqmd-5708214 | Ga2P | data_[Ga8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2746]
_cell_length_b [6.2746]
_cell_length_c [6.2746]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003720670 | InPd3Se | data_[In8Pd24Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9803]
_cell_length_b [9.7021]
_cell_length_c [7.0022]
_... |
agm003640756 | Sm4Tm5Y | data_[Sm8Y2Tm10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.2701]
_cell_length_b [10.2701]
_cell_length_c [6.2101]
_cel... |
agm003745098 | BiCuNd4 | data_[Nd16Cu4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6736]
_cell_length_b [20.5478]
_cell_length_c [6.5359]
_... |
agm2000056304 | Mg3Te2Tl2 | data_[Mg6Tl4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [20.7752]
_cell_length_b [4.2964]
_cell_length_c [12.1911]
_... |
agm002724986 | AgPdTa2 | data_[Ta8Ag4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5348]
_cell_length_b [6.5348]
_cell_length_c [6.5348]
_c... |
agm001264884 | AcISe | data_[Ac1Se1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7421]
_cell_length_b [4.7421]
_cell_length_c [7.2922]
_cell... |
agm005552574 | Ir3La2Pr2 | data_[La4Pr4Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4192]
_cell_length_b [4.4307]
_cell_length_c [9.0828]
_c... |
agm004647760 | HoLi3N6Pa2 | data_[Li6Ho2Pa4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
Pa 1.5000 1.8000 1.0400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0496]
_cell_length_b [10.4... |
agm004133986 | AsCaCd2 | data_[Ca2Cd4As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2890]
_cell_length_b [4.2890]
_cell_length_c [10.3143]
... |
agm003406881 | Cs2KP2 | data_[Cs8K4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7451]
_cell_length_b [7.3771]
_cell_length_c [9.2372]
_cell_... |
agm001615104 | In2IrKLi | data_[K1Li1In2Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1824]
_cell_length_b [5.1... |
agm1000013417 | Mg3N2 | data_[Mg3N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [16.9207]
_cell_length_b [3.7922]
_cell_length_c [16.9207]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003935145 | LiMo | data_[Li2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [2.6054]
_cell_length_b [2.6054]
_cell_length_c [9.3653]
_cell_angle_alpha [90.0000]
_cell... |
agm005408725 | NiTe4 | data_[Ni2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0359]
_cell_length_b [4.0359]
_cell_length_c [19.6416]
_cell_angle_alpha [90.0000]
_cel... |
agm003014600 | Sc2Ti2V | data_[Sc4Ti4V2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.4863]
_cell_length_b [6.4863]
_cell_length_c [4.6455]
_ce... |
agm005474969 | AuP4Zr | data_[Zr4P16Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2740]
_cell_length_b [7.2740]
_cell_length_c [7.2740]
_ce... |
agm004000978 | BaIr3 | data_[Ba3Ir9]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5566]
_cell_length_b [9.5566]
_cell_length_c [2.9168]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003985688 | Co2MoTl | data_[Tl1Co2Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3504]
_cell_length_b [4.3504]
_cell_length_c [3.1282]
_... |
oqmd-2352010 | GeHfRu2 | data_[Hf4Ge4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3517]
_cell_length_b [6.3517]
_cell_length_c [6.3517]
_c... |
agm001331643 | CdErHoLa | data_[La4Ho4Er4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8156]
_cell_length_b [7.... |
agm2000076906 | Cr2InSe4 | data_[Cr2In1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6794]
_cell_length_b [7.1450]
_cell_length_c [18.1729]
_c... |
agm2000059439 | IIrSe2 | data_[Ir1Se2I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5898]
_cell_length_b [18.1945]
_cell_length_c [5.9332]
_cel... |
oqmd-9244731 | Br2Ni | data_[Ni4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6177]
_cell_length_b [6.3392]
_cell_length_c [13.0652]
_cell_angle_alpha [90.0000]
_cel... |
agm001702439 | BeI2N2 | data_[Be1I2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.7504]
_cell_length_b [6.7504]
_cell_length_c [2.8503]
_cell... |
agm003743281 | Pd4TmZr | data_[Tm1Zr1Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9173]
_cell_length_b [3.9173]
_cell_length_c [8.0994]
_... |
agm002718605 | MnO2Rb | data_[Rb4Mn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1760]
_cell_length_b [6.1760]
_cell_length_c [6.1760]
_cel... |
agm003845422 | Ba2MoSc | data_[Ba2Sc1Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sc 1.3600 1.6000 0.8850
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7982]
_cell_length_b [3.7982]
_cell_length_c [9.5665]
_ce... |
agm001994072 | Hf2RhSb | data_[Hf6Sb3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1145]
_cell_length_b [3.1145]
_cell_length_c [30.1312]
_c... |
agm005732918 | AcLa5Tb | data_[Ac4La20Tb4]
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
Tb 1.1000 1.7500 0.9815
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0267]
_cell_length_b [10.3084]
_cell_length_c [11.9956]
... |
agm001162144 | AcErPm2 | data_[Ac1Pm2Er1]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7222]
_cell_length_b [3.7222]
_cell_length_c [10.3685]
... |
agm002716733 | AgOZr2 | data_[Zr8Ag4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5237]
_cell_length_b [6.5237]
_cell_length_c [6.5237]
_cel... |
mp-1080865 | CeSe2 | data_[Ce12Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P23]
_cell_length_a [14.7752]
_cell_length_b [14.7752]
_cell_length_c [14.7752]
_cell_angle_alpha [90.0000]
_ce... |
agm001167331 | C3Dy12N5 | data_[Dy96C24N40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.5318]
_cell_length_b [14.5318]
_cell_length_c [14.5318]
... |
agm003466758 | PrSc2Tm5 | data_[Pr2Tm10Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.8820]
_cell_length_b [6.8820]
_cell_length_c [9.8576]
... |
agm005897760 | Pb9Pu2Sr | data_[Sr1Pu2Pb9]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9145]
_cell_length_b [4.9145]
_cell_length_c [14.7699]
... |
agm005546601 | CuRh5 | data_[Cu2Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5487]
_cell_length_b [3.8175]
_cell_length_c [5.4217]
_cell_angle_alpha [90.0000]
_cell_... |
agm003068915 | H3RhSr | data_[Sr6H18Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1901]
_cell_length_b [5.1901]
_cell_length_c [14.9953]
_ce... |
agm2000074999 | As3Hg3Tm | data_[Tm1Hg3As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2358]
_cell_length_b [6.5696]
_cell_length_c [19.0162]
_cel... |
agm001262177 | FTeTh | data_[Th1Te1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2669]
_cell_length_b [4.2669]
_cell_length_c [4.4061]
_cel... |
agm004642593 | NpS6Sm2Tl3 | data_[Sm4Np2Tl6S12]
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
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1272]
_cell_length_b [12.3... |
agm004837507 | As4NaTh2U | data_[Na1Th2U1As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Th 1.3000 1.8000 1.0800
U 1.3800 1.7500 0.9913
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2209]
_cell_length_b [4.226... |
agm002565346 | F3OS | data_[S1O1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9272]
_cell_length_b [3.9272]
_cell_length_c [3.9272]
_cell_an... |
agm005620083 | Ac4Pd2Pr3 | data_[Ac8Pr6Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2925]
_cell_length_b [4.0539]
_cell_length_c [9.6798]
_c... |
agm003932737 | IrSe2Te | data_[Te2Ir2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5613]
_cell_length_b [5.5613]
_cell_length_c [5.3660]
_... |
agm005830531 | C2La2Tc | data_[La8Tc4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tc 1.9000 1.3500 0.7417
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7341]
_cell_length_b [5.4609]
_cell_length_c [10.4937]
_cel... |
agm005987093 | InRh3Sm3 | data_[Sm12In4Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4079]
_cell_length_b [10.4660]
_cell_length_c [13.6711]... |
oqmd-3098704 | FOY | data_[Y6O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7827]
_cell_length_b [3.7827]
_cell_length_c [18.8811]
_cell_an... |
oqmd-4232083 | EuMoNa | data_[Na4Eu4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2673]
_cell_length_b [7.2673]
_cell_length_c [7.2673]
_c... |
agm005049488 | BErO4Sr | data_[Sr2Er2B2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0491]
_cell_length_b [5.258... |
agm2000144472 | CuI6U | data_[U1Cu1I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.2445]
_cell_length_b [7.2445]
_cell_length_c [18.4066]
_cell_... |
agm004190971 | HgRh2Sb | data_[Hg3Sb3Rh6]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2952]
_cell_length_b [3.2952]
_cell_length_c [23.7496]
_c... |
agm005951539 | DyEr3Zn4 | data_[Dy1Er3Zn4]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0019]
_cell_length_b [5.0019]
_cell_length_c [7.1268]
_... |
agm005038946 | CdGaHg3Pb | data_[Cd2Ga2Hg6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9959]
_cell_length_b [3... |
agm001064055 | CrTmV | data_[Tm2V2Cr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.3006]
_cell_length_b [4.4101]
_cell_length_c [7.5456]
_cell... |
agm004161884 | CaFe2K | data_[K1Ca1Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.0640]
_cell_length_b [5.1154]
_cell_length_c [7.4673]
_cell... |
agm002800841 | BeBi2Sr | data_[Sr4Be4Bi8]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.0537]
_cell_length_b [6.0537]
_cell_length_c [15.6389]
_... |
oqmd-2126533 | BeCuMnSb | data_[Mn4Be4Cu4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0718]
_cell_length_b [6.... |
agm004131974 | CdRh2Ru | data_[Cd1Ru1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8644]
_cell_length_b [2.7595]
_cell_length_c [4.9423]
_ce... |
oqmd-7051098 | MgOPbTe | data_[Mg8Te8Pb8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [Pbca]
_cell_length_a [6.2067]
_cell_length_b [18.10... |
agm005691054 | PaPd2Si | data_[Pa8Si8Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.5927]
_cell_length_b [6.8097]
_cell_length_c [5.4486]
_... |
agm2000128025 | SSn3 | data_[Sn6S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7206]
_cell_length_b [6.0403]
_cell_length_c [19.4204]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002813658 | AgCl2Re | data_[Re4Ag4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.2455]
_cell_length_b [8.2455]
_cell_length_c [5.4841]
_c... |
agm004676976 | F9HgMg2Rb3 | data_[Rb3Mg2Hg1F9]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0269]
_cell_length_b [6.02... |
agm001171105 | Be4FePu | data_[Pu4Be16Fe4]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4872]
_cell_length_b [6.4872]
_cell_length_c [6.4872]
_... |
oqmd-8500133 | C3CsN3Ni | data_[Cs8Ni8C24N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3617]
_cell_length_b [10.... |
agm2000079252 | Br3NiTl | data_[Tl1Ni1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1284]
_cell_length_b [7.8590]
_cell_length_c [17.4112]
_c... |
agm2000001892 | ClH | data_[H2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0962]
_cell_length_b [4.0962]
_cell_length_c [17.6145]
_cell_angle_alpha [90.0000]
_cell_... |
agm001081036 | Cd4K2Pt | data_[K4Cd8Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3208]
_cell_length_b [5.3208]
_cell_length_c [17.7948]
_c... |
agm004040284 | Al2InSb | data_[Al8In4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1418]
_cell_length_b [7.1418]
_cell_length_c [7.1418]
_c... |
agm006030696 | CaSn15Th4 | data_[Ca1Th4Sn15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7771]
_cell_length_b [4.7771]
_cell_length_c [23.5683]... |
agm005855956 | Er2NdPr5 | data_[Pr10Nd2Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6235]
_cell_length_b [11.4023]
_cell_length_c [13.4810]
... |
agm001268364 | CErW | data_[Er1W1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6254]
_cell_length_b [3.6254]
_cell_length_c [4.3963]
_cell_... |
agm001287808 | AuGeInNa | data_[Na4In4Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9547]
_cell_length_b [6.... |
agm005447696 | AuCd4K | data_[K4Cd16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.4102]
_cell_length_b [8.4102]
_cell_length_c [8.4102]
_ce... |
agm003503491 | AuO6Sb2 | data_[Sb4Au2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.8489]
_cell_length_b [4.8489]
_cell_length_c [9.8997]
... |
agm003646418 | Au5Pu4Tm | data_[Tm1Pu4Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pu 1.2800 1.7500 0.9675
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8708]
_cell_length_b [3.8708]
_cell_length_c [14.8987]
... |
agm005146259 | Er2La5NdY | data_[La20Nd4Y4Er8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5111]
_cell_length_b [21.7... |
agm004985558 | O6PbSiSm2 | data_[Sm2Si1Pb1O6]
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
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.3874]
_cell_length_b [5.387... |
agm001074078 | Au2HgPd4 | data_[Hg2Pd8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0121]
_cell_length_b [5.0121]
_cell_length_c [13.2687]
... |
agm004146796 | Ag3W | data_[Ag3W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.8409]
_cell_length_b [2.8409]
_cell_length_c [9.8510]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005078715 | AgIIrO6 | data_[Ag2Ir2I2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.3209]
_cell_length_b [5.320... |
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