Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-3420639 | CdNiOS | data_[Cd4Ni4S4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.3139]
_cell_length_b [7.538... |
agm002997911 | Mo2Sb2Te | data_[Sb4Te2Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8736]
_cell_length_b [7.8736]
_cell_length_c [3.3308]
_... |
agm002391467 | AgHg3W | data_[Ag1Hg3W1]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3329]
_cell_length_b [5.3329]
_cell_length_c [5.3329]
_cel... |
agm001527672 | BMnPdRh2 | data_[Mn1B1Pd1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3741]
_cell_length_b [4.3... |
agm002728426 | AsBaS2 | data_[Ba4As4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2841]
_cell_length_b [7.2841]
_cell_length_c [7.2841]
_cel... |
agm2000101486 | NbSe3Ti | data_[Ti2Nb2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.4789]
_cell_length_b [18.5395]
_cell_length_c [10.7696]
_... |
agm1000019569 | N10Ru7 | data_[Ru14N20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8511]
_cell_length_b [20.4740]
_cell_length_c [20.4740]
_cell_angle_alpha [120.0000]
_cell_... |
agm001296054 | CdPmPtY | data_[Pm4Y4Cd4Pt4]
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
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3053]
_cell_length_b [7.30... |
agm005605312 | Cd5Hg3Tl2 | data_[Tl8Cd20Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3717]
_cell_length_b [13.6929]
_cell_length_c [6.6987]... |
agm005041543 | CoInS3Ti | data_[Ti2In2Co2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3182]
_cell_length_b [3.4... |
agm005927290 | Ca2LiPr2 | data_[Li2Ca4Pr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7943]
_cell_length_b [3.7943]
_cell_length_c [24.4343]
... |
oqmd-6208557 | ILa3O4 | data_[La3I1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0997]
_cell_length_b [4.0997]
_cell_length_c [9.5786]
_cell... |
agm003411683 | Ge3RhSm2 | data_[Sm16Ge24Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.2525]
_cell_length_b [8.5142]
_cell_length_c [14.6984]
... |
agm001542970 | CHf2NbZr | data_[Hf2Zr1Nb1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2140]
_cell_length_b [5.2... |
agm002155265 | K | data_[K12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.6524]
_cell_length_b [8.6524]
_cell_length_c [13.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
oqmd-5662669 | NiNpSb | data_[Np4Ni4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3790]
_cell_length_b [6.3790]
_cell_length_c [6.3790]
_c... |
agm005489644 | FeLi7 | data_[Li28Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2036]
_cell_length_b [8.2036]
_cell_length_c [8.2036]
_cell_angle_alpha [90.0000]
_cell... |
agm001049632 | AcPdSc | data_[Ac4Sc4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sc 1.3600 1.6000 0.8850
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2070]
_cell_length_b [4.1953]
_cell_length_c [8.0188]
_c... |
agm003326077 | F2K7O2 | data_[K14O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4140]
_cell_length_b [12.1142]
_cell_length_c [6.9935]
_cell_a... |
agm003310255 | Pd2Sn3Sr2 | data_[Sr4Sn6Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4374]
_cell_length_b [4.5262]
_cell_length_c [7.7685]
_c... |
agm003022288 | La2Pb2Te | data_[La4Te2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6765]
_cell_length_b [8.6765]
_cell_length_c [4.4421]
_... |
agm006104383 | Co3Dy4Ru | data_[Dy4Co3Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9379]
_cell_length_b [4.0796]
_cell_length_c [10.2500]
_c... |
oqmd-3177479 | InMnTiY | data_[Y4Ti4Mn4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.6483
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8438]
_cell_length_b [6.84... |
agm2000106231 | AsIMn | data_[Mn4As4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.0520]
_cell_length_b [3.8405]
_cell_length_c [14.5614]
_ce... |
agm2000078346 | Li2PbTe2 | data_[Li2Te2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9884]
_cell_length_b [4.7448]
_cell_length_c [18.0799]
_cel... |
agm001383686 | CaIrNaNd | data_[Na4Ca4Nd4Ir4]
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
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2775]
_cell_length_b [7.... |
agm001168456 | Hf12Sb3Tc5 | data_[Hf96Tc40Sb24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [15.8718]
_cell_length_b [15.8718]
_cell_length_c [15.87... |
agm004773040 | AcAs2Au4Tl | data_[Ac1Tl1As2Au4]
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
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2014]
_cell_length_b [4... |
agm005681323 | MoRu3Sm2 | data_[Sm4Mo2Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6702]
_cell_length_b [5.6702]
_cell_length_c [8.1236]... |
agm2000124356 | IPt2 | data_[Pt6I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.1095]
_cell_length_b [9.1095]
_cell_length_c [15.0000]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003005282 | NiTe2Y2 | data_[Y4Ni2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9749]
_cell_length_b [7.9749]
_cell_length_c [4.1654]
_ce... |
mp-2228906 | LaMgNb2O8Rb2 | data_[Rb2La1Mg1Nb2O8]
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
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_... |
oqmd-9235295 | CoCr2N | data_[Cr24Co12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4112]
_cell_length_b [4.8552]
_cell_length_c [12.4530]
_... |
agm002319756 | PrSiW | data_[Pr4Si4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4737]
_cell_length_b [3.9025]
_cell_length_c [8.6171]
_cell... |
agm001667506 | AsHNaTl2 | data_[Na1Tl2As1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9269]
_cell_length_b [4.9... |
agm003609742 | OsPmRu | data_[Pm4Os4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2243]
_cell_length_b [5.5749]
_cell_length_c [7.7153]
_ce... |
agm002386115 | As2Cr2LiNd | data_[Li1Nd1Cr2As2]
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
Cr 1.6600 1.4000 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1850]
_cell_length_b [4.... |
agm004774417 | Ag2NaS4Ta | data_[Na2Ta2Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.1402]
_cell_length_b [6.14... |
agm003465851 | Dy5Sc2Y | data_[Dy20Y4Sc8]
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
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.8233]
_cell_length_b [8.8233]
_cell_length_c [12.3328]
_... |
agm005803472 | Br12Pb7S | data_[Pb21S3Br36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.6847]
_cell_length_b [15.6847]
_cell_length_c [10.9179]
_... |
agm003765294 | CdNdPr6 | data_[Pr18Nd3Cd3]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7246]
_cell_length_b [9.7246]
_cell_length_c [10.1522]
_c... |
agm006021852 | As4Er3Sc | data_[Er3Sc1As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7077]
_cell_length_b [5.7077]
_cell_length_c [5.7077]
_c... |
agm001008520 | AsFPt | data_[As2Pt2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.5018]
_cell_length_b [4.9710]
_cell_length_c [6.1749]
_cell... |
agm003511973 | H7LaPt2 | data_[La2H14Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8874]
_cell_length_b [10.4281]
_cell_length_c [3.6488]
_ce... |
agm005738700 | AgScZn3 | data_[Sc4Zn12Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9257]
_cell_length_b [14.9504]
_cell_length_c [4.8605]
_... |
agm001839452 | AlScSm | data_[Sm2Sc2Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.3431]
_cell_length_b [3.3431]
_cell_length_c [13.1858]
_c... |
agm003740456 | CuIO4 | data_[Cu2I2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5424]
_cell_length_b [4.7405]
_cell_length_c [5.9115]
_cell... |
mp-1201965 | Mn5O12P2 | data_[Mn20P8O48]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.5407]
_cell_length_b [9.1851]
_cell_length_c [17.2927... |
agm001943122 | PdSe2Tb | data_[Tb3Pd3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8005]
_cell_length_b [3.8005]
_cell_length_c [24.9288]
_c... |
agm005540511 | Ca2Li | data_[Li2Ca4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7555]
_cell_length_b [5.5768]
_cell_length_c [10.3409]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-4590924 | FeGdKTe3 | data_[K4Gd4Fe4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Gd 1.2000 1.8000 1.0750
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3670]
_cell_length_b [15.9... |
agm003357228 | Ac3Pm2Pr8 | data_[Ac6Pm4Pr16]
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
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3180]
_cell_length_b [8.1438]
_cell_length_c [5.9025]
_... |
agm003966417 | BrCu2Mo | data_[Cu8Mo4Br4]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2389]
_cell_length_b [6.2389]
_cell_length_c [6.2389]
_c... |
oqmd-9043454 | Ge3Mn4N3W2 | data_[Mn16Ge12W8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ge 2.0100 1.2500 0.7700
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1760]
_cell_length_b [5.32... |
agm001737015 | BrN2SrTe | data_[Sr1Te1Br1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8746]
_cell_length_b [4.8... |
agm006026225 | La4Sm5Tb | data_[La8Tb2Sm10]
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
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8960]
_cell_length_b [5.6468]
_cell_length_c [10.6532]
... |
agm003333828 | Ge4Ti2V3 | data_[Ti8V12Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.2945]
_cell_length_b [13.8088]
_cell_length_c [7.6611]
_c... |
agm003632793 | CeNbSb2 | data_[Ce2Nb2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nb 1.6000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7581]
_cell_length_b [3.6547]
_cell_length_c [14.7150]
_c... |
oqmd-2341502 | BiHf2V | data_[Hf8V4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9064]
_cell_length_b [6.9064]
_cell_length_c [6.9064]
_cel... |
oqmd-3909351 | CuEuOS | data_[Eu4Cu4S4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7093]
_cell_length_b [5.7270]... |
agm001925937 | Ge2ReTh | data_[Th4Re4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7318]
_cell_length_b [6.7318]
_cell_length_c [6.7318]
_c... |
agm004805248 | LiMgPd4Tm2 | data_[Li3Tm6Mg3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6977]
_cell_length_b [4.... |
agm005661247 | Pb5Sc2Tm4 | data_[Tm16Sc8Pb20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.3021]
_cell_length_b [19.9289]
_cell_length_c [6.3720]
... |
agm2000100709 | PtSe3Sr2 | data_[Sr4Pt2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [20.1229]
_cell_length_b [4.6097]
_cell_length_c [9.3087]
... |
agm004630994 | Er6Ho2Y3Zr | data_[Y6Ho4Er12Zr2]
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
Er 1.2400 1.7500 1.0300
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0567]
_cell_length_b [10.4... |
agm001184543 | Re4ScTh | data_[Th4Sc4Re16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6801]
_cell_length_b [7.6801]
_cell_length_c [7.6801]
_... |
agm006116846 | GaIr4Tm5 | data_[Tm5Ga1Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4244]
_cell_length_b [3.4244]
_cell_length_c [16.9952]
... |
agm005575157 | Ge2Pd3Pu3 | data_[Pu12Ge8Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8777]
_cell_length_b [15.1160]
_cell_length_c [5.6584]
... |
agm001219983 | PbPmPu2 | data_[Pm1Pu2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
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 [4.6520]
_cell_length_b [4.6520]
_cell_length_c [5.2360]
_... |
agm004124249 | Mn2OsRh | data_[Mn4Os2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Os 2.2000 1.3000 0.6730
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.7514]
_cell_length_b [4.5091]
_cell_length_c [8.7342]
_ce... |
agm004089194 | CoHgTa2 | data_[Ta4Co2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6241]
_cell_length_b [8.1833]
_cell_length_c [2.9173]
_ce... |
agm003327129 | Dy3Er2Sc3 | data_[Dy6Er4Sc6]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7877]
_cell_length_b [4.8939]
_cell_length_c [19.4597]
_c... |
agm004121800 | BeCd2Re | data_[Be2Cd4Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9745]
_cell_length_b [3.9745]
_cell_length_c [8.2674]
_c... |
agm003022367 | AgTe2Ti2 | data_[Ti4Ag2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5664]
_cell_length_b [7.5664]
_cell_length_c [3.6216]
_... |
agm005812364 | Cl6CoNi2 | data_[Co2Ni4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6290]
_cell_length_b [3.4913]
_cell_length_c [9.1539]
_... |
agm001434742 | MnPb2SbSe | data_[Mn1Sb1Pb2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4423]
_cell_length_b [5... |
oqmd-7253863 | AuCd2Rh | data_[Cd8Rh4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5861]
_cell_length_b [6.5861]
_cell_length_c [6.5861]
_c... |
agm004919589 | RbS8SmTb4 | data_[Rb3Tb12Sm3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3020]
_cell_length_b [8.30... |
agm004817600 | As4NdPu2Y | data_[Nd1Y1Pu2As4]
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
Pu 1.2800 1.7500 0.9675
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1924]
_cell_length_b [4.174... |
oqmd-6657113 | AgCuHgSe4Si | data_[Cu2Si2Ag2Hg2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length... |
agm004406185 | RhSeSi2 | data_[Si2Rh1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9540]
_cell_length_b [4.4371]
_cell_length_c [4.7671]
_ce... |
agm001639418 | AgAu2RbSi | data_[Rb1Si1Ag1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9642]
_cell_length_b [4... |
agm001281746 | Tb3Ti | data_[Tb6Ti2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4758]
_cell_length_b [10.9139]
_cell_length_c [5.9402]
_cell_angle_alpha [90.0000]
_cell_... |
agm004998886 | ClPbS2Sb | data_[Sb2Pb2S4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8185]
_cell_length_b [5.3... |
agm002807481 | AgCZn2 | data_[Zn8Ag4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.5518]
_cell_length_b [5.5518]
_cell_length_c [9.7153]
_cel... |
agm001658502 | La2PbRhSc | data_[La2Sc1Rh1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4820]
_cell_length_b [5... |
agm004727015 | ErNd3Rb4S8 | data_[Rb12Nd9Er3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3614]
_cell_length_b [8.3... |
agm005679987 | Ga8Ru3Y3 | data_[Y6Ga16Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2082]
_cell_length_b [9.7443]
_cell_length_c [12.5891]
_ce... |
agm004298261 | BrMoW | data_[Mo1W1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4345]
_cell_length_b [4.4345]
_cell_length_c [2.9453]
_cel... |
agm003608411 | PmSnTe | data_[Pm4Sn4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2940]
_cell_length_b [4.2940]
_cell_length_c [19.4254]
... |
agm004443169 | GeTc | data_[Tc16Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.0481]
_cell_length_b [7.5304]
_cell_length_c [9.6470]
_cell_angle_alpha [90.0000]
_cell... |
agm003607452 | CaCeSi | data_[Ca4Ce4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1736]
_cell_length_b [4.0438]
_cell_length_c [7.8538]
_c... |
agm005842330 | CdEr3S | data_[Er12Cd4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0284]
_cell_length_b [3.8286]
_cell_length_c [14.6675]
_ce... |
agm004486894 | CuOSSe | data_[Cu2Se2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0996]
_cell_length_b [4.099... |
agm004285021 | Fe2PtZn | data_[Zn3Fe6Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7644]
_cell_length_b [2.7644]
_cell_length_c [24.7316]
_ce... |
agm003502440 | B2GaV6 | data_[V24Ga4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.9142]
_cell_length_b [7.5244]
_cell_length_c [8.1220]
_cell_... |
agm004097688 | CoCr2Se | data_[Cr2Co1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8494]
_cell_length_b [2.8494]
_cell_length_c [6.1065]
_... |
agm003006088 | Ni2OSi2 | data_[Si4Ni4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.4864]
_cell_length_b [5.4864]
_cell_length_c [3.6401]
_ce... |
agm003974144 | HgK2Mg | data_[K4Mg2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5154]
_cell_length_b [5.5154]
_cell_length_c [10.3551]
_c... |
mp-1206063 | F6Hf3Zn | data_[Hf3Zn1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5498]
_cell_length_b [5.5554]
_cell_length_c [11.7621]
_cell... |
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