Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004937614 | Ag2F6LiRh | data_[Li3Ag6Rh3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.7215]
_cell_length_b [5.721... |
oqmd-6715133 | CDyN2O2Tm | data_[Dy1Tm1C1N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3... |
agm002150348 | FeHg5 | data_[Fe2Hg10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [6.9604]
_cell_length_b [6.9604]
_cell_length_c [5.4990]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002570430 | PRe3Tl | data_[Tl1Re3P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4502]
_cell_length_b [4.4502]
_cell_length_c [4.4502]
_cel... |
agm002003501 | Mo2NiPa | data_[Pa3Ni3Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8843]
_cell_length_b [2.8843]
_cell_length_c [28.7228]
_c... |
agm002560635 | Co3ORu | data_[Co3Ru1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8905]
_cell_length_b [3.8905]
_cell_length_c [3.8905]
_cel... |
agm003965412 | CuSbTe2 | data_[Cu2Sb2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.8782]
_cell_length_b [8.3975]
_cell_length_c [4.1874]
_ce... |
agm004000510 | LaOs2 | data_[La4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3451]
_cell_length_b [6.3451]
_cell_length_c [6.3451]
_cell_angle_alpha [90.0000]
_cell_... |
agm005044600 | AcBBeCo3 | data_[Ac4Be4Co12B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4851]
_cell_length_b [10.9... |
agm004820286 | HfK2SnTe4 | data_[K2Hf1Sn1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8678]
_cell_length_b [4.379... |
agm001209022 | BaIn2Tm | data_[Ba1Tm1In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7506]
_cell_length_b [5.7506]
_cell_length_c [3.8607]
_... |
agm005861629 | Pd9Te2Zn | data_[Zn1Te2Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0533]
_cell_length_b [4.0533]
_cell_length_c [11.9443]
... |
oqmd-7120346 | MnOPPb | data_[Mn2P2Pb2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.6394]
_cell_length_b [6.701... |
agm001610053 | BaBr2ITl | data_[Ba1Tl1I1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2547]
_cell_length_b [6.2... |
agm003622912 | ErFeSc2 | data_[Er4Sc8Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5926]
_cell_length_b [11.3866]
_cell_length_c [8.4911]
_c... |
agm003914429 | BeCl2Tc | data_[Be1Tc1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tc 1.9000 1.3500 0.7417
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2650]
_cell_length_b [3.0074]
_cell_length_c [7.8305]
_cell... |
agm003599011 | AgHoTb | data_[Tb6Ho6Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0306]
_cell_length_b [5.0306]
_cell_length_c [24.5168]
_c... |
agm002728656 | CoS2Y | data_[Y4Co4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5001]
_cell_length_b [6.5001]
_cell_length_c [6.5001]
_cell_... |
agm005462394 | Ir2Li | data_[Li4Ir8]
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
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.1988]
_cell_length_b [6.1988]
_cell_length_c [4.0813]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-6096690 | La3Mg3Pd2Pt | data_[La3Mg3Pd2Pt1]
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
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6968]
_cell_length_b [7.... |
agm004891484 | CaCe2O8P | data_[Ca1Ce2P1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2080]
_cell_length_b [5.2080... |
agm2000030836 | Br2Ca | data_[Ca4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Aem2]
_cell_length_a [21.3652]
_cell_length_b [6.6367]
_cell_length_c [6.8396]
_cell_angle_alpha [90.0000]
_cell_... |
agm001082906 | Ac2OPr4 | data_[Ac4Pr8O2]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1009]
_cell_length_b [5.1009]
_cell_length_c [18.7274]
_c... |
agm003771695 | Cd6HoMg | data_[Ho1Mg1Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5929]
_cell_length_b [4.5929]
_cell_length_c [8.6964]
_... |
oqmd-3036925 | AlAuBaCa | data_[Ba4Ca4Al4Au4]
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
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8172]
_cell_length_b [7.... |
agm005979660 | Ac8CaSm2 | data_[Ca2Ac16Sm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.8721]
_cell_length_b [9.9127]
_cell_length_c [16.5449]
_... |
agm005820091 | Au2Ga3Th | data_[Th4Ga12Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.3599]
_cell_length_b [8.3384]
_cell_length_c [6.3335]
_c... |
agm001833309 | BIrV | data_[V2B2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.6977]
_cell_length_b [2.6977]
_cell_length_c [9.3116]
_cell_a... |
agm004865025 | ErLa2Nd4Pr | data_[La2Pr1Nd4Er1]
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
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1959]
_cell_length_b [5... |
agm006090245 | AuRb3Sb4 | data_[Rb6Sb8Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.9660]
_cell_length_b [14.0335]
_cell_length_c [6.3034]
_c... |
agm001453343 | BeLaPt2Sr | data_[Sr1La1Be1Pt2]
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
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3793]
_cell_length_b [5... |
agm002802435 | B2BeHf | data_[Hf4Be4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.6522]
_cell_length_b [3.6522]
_cell_length_c [12.5732]
... |
agm004853118 | Ba2N4SmW | data_[Ba4Sm2W2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7684]
_cell_length_b [7.316... |
agm002280017 | BrDyHO | data_[Dy2H2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.6304]
_cell_length_b [3.630... |
agm003688572 | Pu12Rh6Ru | data_[Pu36Ru3Rh18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.8006]
_cell_length_b [10.8006]
_cell_length_c [11.3719]... |
agm004580942 | Cd2MoO6Rb2 | data_[Rb4Cd4Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9084]
_cell_length_b [9.86... |
agm002017621 | NiScV | data_[Sc4V4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2863]
_cell_length_b [3.0169]
_cell_length_c [7.7289]
_cell... |
agm002139275 | BrPt | data_[Pt8Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.6207]
_cell_length_b [6.6207]
_cell_length_c [8.6886]
_cell_angle_alpha [90.0000]
_ce... |
oqmd-3150930 | CrDyLu | data_[Dy4Lu4Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9199]
_cell_length_b [6.9199]
_cell_length_c [6.9199]
_c... |
agm005751597 | FI2Nb | data_[Nb2I4F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.7645]
_cell_length_b [16.9116]
_cell_length_c [4.1966]
_cell_... |
agm005061543 | InLiPaS4 | data_[Li4Pa4In4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7720]
_cell_length_b [8.02... |
agm004107304 | AuCu2Mo | data_[Cu4Mo2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.7123]
_cell_length_b [4.6209]
_cell_length_c [9.2792]
_ce... |
agm001366578 | AcAuTlZn | data_[Ac4Tl4Zn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4329]
_cell_length_b [7.... |
agm002656275 | As2CaLa | data_[Ca4La4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3977]
_cell_length_b [7.3977]
_cell_length_c [7.3977]
_c... |
agm005492743 | IrTc | data_[Tc4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2911]
_cell_length_b [4.2911]
_cell_length_c [7.9837]
_cell_angle_alpha [90.0000]
_ce... |
agm005679721 | GeHgTm | data_[Tm4Hg4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1606]
_cell_length_b [16.8210]
_cell_length_c [3.9167]
_c... |
agm001232669 | InTh2Zn | data_[Th2Zn1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8766]
_cell_length_b [4.8766]
_cell_length_c [4.4837]
_... |
agm004024417 | MoScTc2 | data_[Sc1Tc2Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8268]
_cell_length_b [4.4539]
_cell_length_c [5.1755]
_cell... |
agm005890624 | BMoRe4 | data_[Re8B2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0189]
_cell_length_b [5.4342]
_cell_length_c [6.8074]
_cell_... |
agm003331471 | Ba3Li3Tl2 | data_[Ba12Li12Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3531]
_cell_length_b [12.4500]
_cell_length_c [17.1631]... |
agm001029219 | CuErV | data_[Er2V2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4280]
_cell_length_b [3.4280]
_cell_length_c [9.4373]
_ce... |
oqmd-4985510 | Ir2PdZn | data_[Zn4Ir8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1869]
_cell_length_b [6.1869]
_cell_length_c [6.1869]
_c... |
oqmd-6777317 | BeGa2Rh4Sc | data_[Sc1Be1Ga2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Be 1.5700 1.0500 0.5900
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2513]
_cell_length_b [4... |
agm002641206 | B2RbTi | data_[Rb4Ti4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4414]
_cell_length_b [6.4414]
_cell_length_c [6.4414]
_cel... |
agm005135165 | Pa2Pm2Ru5Zr | data_[Pm4Zr2Pa4Ru10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zr 1.3300 1.5500 0.8600
Pa 1.5000 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.8994]
_cell_length_b ... |
agm006016868 | GaRh12U4 | data_[U8Ga2Rh24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.2534]
_cell_length_b [8.2534]
_cell_length_c [8.2534]
_ce... |
agm003774333 | CdCoPt6 | data_[Cd1Co1Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9638]
_cell_length_b [3.9638]
_cell_length_c [7.9503]
_... |
agm002995974 | Bi2MgY2 | data_[Y4Mg2Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5563]
_cell_length_b [8.5563]
_cell_length_c [4.1100]
_ce... |
oqmd-3955289 | InNOV | data_[V2In2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.4302]
_cell_length_b [6.0620]... |
agm001552099 | Ge2InSnV | data_[V1In1Sn1Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7979]
_cell_length_b [4.7... |
agm005841326 | CrPt9Ta2 | data_[Ta2Cr1Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9872]
_cell_length_b [3.9872]
_cell_length_c [11.9082]
... |
agm004907609 | Br8KPb2Sn | data_[K1Sn1Pb2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8987]
_cell_length_b [9.163... |
agm004877430 | DyO8Se2Tl | data_[Dy2Tl2Se4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2793]
_cell_length_b [5.80... |
oqmd-6234561 | LaPbSn6Y2 | data_[La2Y4Sn12Pb2]
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
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4673]
_cell_length_b [26.6... |
agm006082404 | Ho7Sc4Y | data_[Y1Ho7Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0118]
_cell_length_b [6.9399]
_cell_length_c [8.5255]
_cell_... |
agm003520756 | Cu8Ni2Pr | data_[Pr1Cu8Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8496]
_cell_length_b [4.8496]
_cell_length_c [8.1759]
_... |
agm001454772 | PbPtSi2Zr | data_[Zr1Si2Pt1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9959]
_cell_length_b [4... |
agm003518762 | Au8Cd2Tm | data_[Tm2Cd4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1933]
_cell_length_b [4.2640]
_cell_length_c [6.7389]
_... |
agm001125506 | CaCd2Na | data_[Na1Ca1Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8000]
_cell_length_b [3.8000]
_cell_length_c [7.5437]
_... |
agm003568065 | In3La5Tb | data_[La10Tb2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.7014]
_cell_length_b [9.7014]
_cell_length_c [7.0520... |
agm005190485 | BiPmTeY | data_[Pm1Y1Bi1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4828]
_cell_length_b [4.4... |
agm003702690 | AsCu7I12 | data_[Cu21As3I36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.5113]
_cell_length_b [14.5113]
_cell_length_c [9.6915]
_c... |
oqmd-3034922 | AgAsAuCu | data_[Cu4Ag4As4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4974]
_cell_length_b [6.... |
oqmd-8024620 | B4MoNd | data_[Nd2B8Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1960]
_cell_length_b [5.5300]
_cell_length_c [7.3757]
_cell... |
agm001973878 | Dy2NTh | data_[Dy6Th3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4284]
_cell_length_b [3.4284]
_cell_length_c [28.9183]
_cel... |
agm004824269 | Nd4PPbSe2 | data_[Nd4P1Pb1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4639]
_cell_length_b [4.304... |
agm002878685 | BiPt2Tl | data_[Tl4Bi4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.5674]
_cell_length_b [4.5674]
_cell_length_c [17.9485]
_... |
agm001223025 | BiNdSc2 | data_[Nd1Sc2Bi1]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7807]
_cell_length_b [4.7807]
_cell_length_c [4.6098]
_... |
agm002021124 | AsCrSi | data_[Cr2Si2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2036]
_cell_length_b [3.5931]
_cell_length_c [8.0074]
_ce... |
agm003718837 | KPtSn3 | data_[K4Sn12Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8285]
_cell_length_b [7.4195]
_cell_length_c [9.6013]
_c... |
agm003971980 | In2MoOs | data_[In4Mo2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Mo 2.1600 1.4500 0.7750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9454]
_cell_length_b [4.7381]
_cell_length_c [10.9376]
_c... |
agm001642899 | BeFeHZr2 | data_[Zr2Be1Fe1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4565]
_cell_length_b [4.4... |
agm001120216 | Dy2PmPt | data_[Pm1Dy2Pt1]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5703]
_cell_length_b [3.5703]
_cell_length_c [8.6055]
_... |
agm005991747 | Ho3MgSm6 | data_[Sm12Ho6Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2197]
_cell_length_b [5.0531]
_cell_length_c [11.2931... |
agm004357208 | Pt2SiZr | data_[Zr4Si4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4247]
_cell_length_b [6.4247]
_cell_length_c [6.4247]
_c... |
oqmd-6810792 | Dy2In3Pt2Tb | data_[Tb2Dy4In6Pt4]
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
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6202]
_cell_length_b [13.... |
agm003713090 | CSiV3 | data_[V6Si2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.0839]
_cell_length_b [3.9595]
_cell_length_c [7.3925]
_cell_a... |
oqmd-1998668 | FeSm3 | data_[Sm6Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6708]
_cell_length_b [4.6708]
_cell_length_c [9.7719]
_cell_angle_alpha [90.0000]
_cell... |
agm005571464 | Sn2Tc2Th7 | data_[Th14Tc4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8330]
_cell_length_b [16.4380]
_cell_length_c [10.1455]
... |
oqmd-3166909 | H2LuO4Si | data_[Lu4Si4H8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Si 1.9000 1.1000 0.5400
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 [4.7874]
_cell_length_b [6.43... |
agm001014946 | CdNRu | data_[Cd4Ru4N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6467]
_cell_length_b [3.1547]
_cell_length_c [6.2847]
_cel... |
agm005154460 | ErHo2Pm5Y | data_[Pm20Y4Ho8Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
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 [Cmc2_1]
_cell_length_a [5.6328]
_cell_length_b [20... |
agm001802364 | CoNPtTe2 | data_[Co1Te2Pt1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2016]
_cell_length_b [5.2... |
agm006109889 | Bi6In12Pb | data_[In36Bi18Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.5670]
_cell_length_b [13.5670]
_cell_length_c [10.8369... |
agm001107491 | HoNNd3 | data_[Nd3Ho1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1422]
_cell_length_b [5.1422]
_cell_length_c [5.1422]
_cel... |
oqmd-9897483 | ErIrPd2Sn3Tm2 | data_[Er2Tm4Sn6Ir2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
agm004477586 | Cs2I7Pt | data_[Cs4Pt2I14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pt 2.2800 1.3500 0.8050
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.4583]
_cell_length_b [8.4583]
_cell_length_c [12.7056]
_... |
agm003010226 | AgHg2Rh2 | data_[Ag2Hg4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3105]
_cell_length_b [7.3105]
_cell_length_c [3.5025]
_... |
agm004959600 | LiNpS6U2 | data_[Li3Np3U6S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Np 1.3600 1.7500 1.0000
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8675]
_cell_length_b [6.8675]
... |
agm005957616 | Cs2CuI5 | data_[Cs8Cu4I20]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [12.3730]
_cell_length_b [13.0156]
_cell_length_c [10.0318]
_... |
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