Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004300729 | Ba2CaP | data_[Ba4Ca2P2]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0215]
_cell_length_b [5.7191]
_cell_length_c [14.1464]
_cel... |
agm001818025 | Br12Cu5Te3 | data_[Cu40Te24Br96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.6141]
_cell_length_b [16.6141]
_cell_length_c [16.61... |
agm002651902 | AgCPd2 | data_[Ag4Pd8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1143]
_cell_length_b [6.1143]
_cell_length_c [6.1143]
_cel... |
agm005404745 | Br6Cs | data_[Cs2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5752]
_cell_length_b [8.5752]
_cell_length_c [8.5752]
_cell_angle_alpha [90.0000]
_cell... |
agm005929678 | BaLa2Pd9 | data_[Ba3La6Pd27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5410]
_cell_length_b [5.5410]
_cell_length_c [27.2231]
_... |
agm005131400 | AlGa2Pt5Y2 | data_[Y4Al2Ga4Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.0054]
_cell_length_b [1... |
oqmd-2631693 | FeMoNiSn | data_[Fe4Ni4Sn4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1286]
_cell_length_b [6.... |
agm005645955 | AgClF | data_[Ag4Cl4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3688]
_cell_length_b [5.1677]
_cell_length_c [7.9229]
_ce... |
agm2000018681 | IrSe2 | data_[Ir1Se2]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7146]
_cell_length_b [3.7146]
_cell_length_c [17.6190]
_cell_angle_alpha [90.0000]
_cell... |
agm004137442 | BeCa2Pb | data_[Ca4Be2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.8261]
_cell_length_b [5.3193]
_cell_length_c [8.7970]
_ce... |
agm001230599 | AgPmY2 | data_[Pm1Y2Ag1]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5281]
_cell_length_b [5.5281]
_cell_length_c [3.6857]
_ce... |
oqmd-9155553 | CuNdTe3Tm | data_[Nd4Tm4Cu4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1799]
_cell_length_b [14... |
agm003954935 | CdCu2Ta | data_[Ta1Cd1Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8709]
_cell_length_b [2.8709]
_cell_length_c [7.5913]
_ce... |
agm001446525 | CaMgReTl2 | data_[Ca1Mg1Tl2Re1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3799]
_cell_length_b [5... |
agm003813045 | AuCr2Tl | data_[Tl2Cr4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5925]
_cell_length_b [2.9585]
_cell_length_c [5.5712]
_ce... |
agm001193021 | B5U | data_[U2B10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.0891]
_cell_length_b [9.3725]
_cell_length_c [4.2585]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm001069404 | AuLa2Te4 | data_[La4Te8Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2998]
_cell_length_b [5.2998]
_cell_length_c [17.0386]
... |
agm003720385 | Br3KTe | data_[K2Te2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1774]
_cell_length_b [9.2985]
_cell_length_c [9.3529]
_cell_... |
agm003501227 | Pr6SbSn2 | data_[Pr6Sn2Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.7025]
_cell_length_b [8.7025]
_cell_length_c [4.4613]
_c... |
oqmd-2012746 | C2CoTm | data_[Tm2Co2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4769]
_cell_length_b [4.4907]
_cell_length_c [5.9453]
_cell... |
agm004116276 | Ag2LaY | data_[La4Y4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2324]
_cell_length_b [7.2324]
_cell_length_c [7.2324]
_cel... |
agm002436341 | C3PPb | data_[P1Pb1C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8472]
_cell_length_b [3.8472]
_cell_length_c [3.8472]
_cell_... |
agm001183193 | AcPt4Pu | data_[Ac4Pu4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pu 1.2800 1.7500 0.9675
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8711]
_cell_length_b [7.8711]
_cell_length_c [7.8711]
_... |
agm001832236 | CdGdRh | data_[Gd2Cd2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4911]
_cell_length_b [3.4911]
_cell_length_c [10.5652]
_c... |
agm002007704 | PmTaTm2 | data_[Pm3Tm6Ta3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2616]
_cell_length_b [3.2616]
_cell_length_c [35.1523]
_c... |
agm001652380 | AuLa2OTi | data_[La2Ti1Au1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2594]
_cell_length_b [5.2... |
agm001497241 | CoLa2VZn | data_[La2V1Zn1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4966]
_cell_length_b [5.4... |
agm003946873 | ClTcZn2 | data_[Zn4Tc2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Tc 1.9000 1.3500 0.7417
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3834]
_cell_length_b [7.9749]
_cell_length_c [2.8938]
_ce... |
agm001482292 | HfIrRhS2 | data_[Hf1Ir1Rh1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5639]
_cell_length_b [4.5... |
agm001832128 | CdGdSc | data_[Gd2Sc2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5070]
_cell_length_b [3.5070]
_cell_length_c [12.7150]
_c... |
agm001937731 | AgCdCs2 | data_[Cs6Cd3Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1283]
_cell_length_b [5.1283]
_cell_length_c [36.3780]
_c... |
agm003392863 | Ac2InLa2 | data_[Ac4La4In2]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1546]
_cell_length_b [6.0028]
_cell_length_c [6.8926]
_c... |
agm004484642 | CF6Rb2Si | data_[Rb4Si2C2F12]
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
C 2.5500 0.7000 0.3000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.1460]
_cell_length_b [6.14... |
agm001047271 | IrNdPm | data_[Pm4Nd4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9235]
_cell_length_b [6.7942]
_cell_length_c [12.6023]
_c... |
agm2000087843 | FeGdSe3 | data_[Gd2Fe2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6325]
_cell_length_b [5.4087]
_cell_length_c [18.4720]
_cel... |
agm001216504 | Hg2NaPr | data_[Na1Pr1Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4588]
_cell_length_b [5.4588]
_cell_length_c [3.6841]
_... |
oqmd-5592609 | AlGdU | data_[Gd4U4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0202]
_cell_length_b [7.0202]
_cell_length_c [7.0202]
_cel... |
agm005066064 | BiMoNaO5 | data_[Na4Bi4Mo4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5210]
_cell_length_b [9.88... |
agm005027789 | NdPm3TbTm | data_[Tb2Pm6Nd2Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0651]
_cell_length_b [5... |
agm003344524 | Ga2In5K3 | data_[K12In20Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.6739]
_cell_length_b [14.7937]
_cell_length_c [7.4743]
_... |
oqmd-5514266 | ClDySe | data_[Dy4Se4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7597]
_cell_length_b [6.8727]
_cell_length_c [7.0579]
_... |
agm004539364 | Ba2DyMg3Pb4 | data_[Ba2Dy1Mg3Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.1495]
_cell_length_b [5.... |
agm001847757 | AcCuPd | data_[Ac2Cu2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6864]
_cell_length_b [3.6864]
_cell_length_c [9.9782]
_ce... |
agm002123268 | GaMnPPt | data_[Mn1Ga1P1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1769]
_cell_length_b [3.176... |
agm001404404 | CaCeInPm | data_[Ca4Ce4Pm4In4]
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
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8984]
_cell_length_b [7.... |
agm001592042 | AuCaNb2Sb | data_[Ca1Nb2Sb1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nb 1.6000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7923]
_cell_length_b [4... |
agm004014194 | RhTl2Zn | data_[Tl4Zn2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3691]
_cell_length_b [4.3691]
_cell_length_c [8.2689]
_... |
agm003598837 | HgIPm | data_[Pm4Hg4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6634]
_cell_length_b [4.4276]
_cell_length_c [12.7508]
_cel... |
agm004373645 | Cr2TaZn | data_[Ta3Zn3Cr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8557]
_cell_length_b [2.8557]
_cell_length_c [25.7952]
_c... |
agm003769971 | GePt6Sm | data_[Sm3Ge3Pt18]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4239]
_cell_length_b [5.4239]
_cell_length_c [19.8831]
_... |
agm004858426 | CuLiSc2Se4 | data_[Li1Sc2Cu1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6889]
_cell_length_b [3.8... |
agm002525883 | CsLaMn3 | data_[Cs1La1Mn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2725]
_cell_length_b [5.2725]
_cell_length_c [5.2725]
_c... |
agm005613180 | Er7Pm3Tb2 | data_[Tb2Pm3Er7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0603]
_cell_length_b [5.6146]
_cell_length_c [12.1739]
_c... |
agm004198341 | ScSiY | data_[Y2Sc2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2620]
_cell_length_b [3.2620]
_cell_length_c [12.7919]
_cel... |
agm002830906 | AsGa2I | data_[Ga8As4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.2714]
_cell_length_b [7.2714]
_cell_length_c [8.9769]
_cel... |
agm002097767 | CuMgTe | data_[Mg4Cu4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.4485]
_cell_length_b [6.8815]
_cell_length_c [4.3850]
_cell... |
oqmd-5106239 | AuPaPu | data_[Pu4Pa4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pa 1.5000 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6633]
_cell_length_b [6.6633]
_cell_length_c [6.6633]
_c... |
agm005721042 | CeH2Se | data_[Ce2H4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.8407]
_cell_length_b [5.8244]
_cell_length_c [4.8801]
_cell... |
agm004844720 | ErHfP4Pu2 | data_[Er1Pu2Hf1P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pu 1.2800 1.7500 0.9675
Hf 1.3000 1.5500 0.8500
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7410]
_cell_length_b [3.906... |
agm005699489 | SnTb6Tc2 | data_[Tb24Tc8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5028]
_cell_length_b [9.5970]
_cell_length_c [10.5205]
_... |
agm2000085824 | CaMnSe2 | data_[Ca1Mn1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.6483
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.3596]
_cell_length_b [5.3596]
_cell_length_c [15.6780]
_c... |
agm003839592 | HgP2Te | data_[Hg2Te2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.7368]
_cell_length_b [7.9088]
_cell_length_c [7.4230]
_cell... |
agm004936294 | AlCrLa2O6 | data_[La4Al2Cr2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5059]
_cell_length_b [5.... |
agm004879810 | BaMo2O8Pr | data_[Ba1Pr1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0688]
_cell_length_b [6.06... |
oqmd-6402118 | HfHgSr | data_[Sr2Hf2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5591]
_cell_length_b [3.5591]
_cell_length_c [13.2572]
_c... |
agm002536246 | CoNSb3 | data_[Co1Sb3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8242]
_cell_length_b [4.8242]
_cell_length_c [4.8242]
_cel... |
agm004455235 | GaSi | data_[Ga8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.3197]
_cell_length_b [11.3197]
_cell_length_c [2.8961]
_cell_angle_alpha [90.0000]
_cell... |
agm003554667 | Ba4Li3Mg | data_[Ba4Li3Mg1]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.8937]
_cell_length_b [5.4248]
_cell_length_c [13.4864]
_c... |
agm006015989 | Ir2OsTm4 | data_[Tm12Ir6Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7632]
_cell_length_b [4.7632]
_cell_length_c [23.1649]
_... |
agm003342235 | Ge4Os3Th2 | data_[Th8Ge16Os12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.6158]
_cell_length_b [9.8847]
_cell_length_c [12.6361]
... |
oqmd-9207889 | AsC2PRu4 | data_[As1P1Ru4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1782]
_cell_length_b [3.1782... |
agm004304800 | HgMo2W | data_[Hg3Mo6W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8362]
_cell_length_b [2.8362]
_cell_length_c [29.7214]
_cel... |
agm003303872 | Hg3Pb2Tb2 | data_[Tb8Hg12Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [9.2575]
_cell_length_b [9.2575]
_cell_length_c [9.2575]
_... |
agm003653134 | Bi5Pm4Sc | data_[Pm8Sc2Bi10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5347]
_cell_length_b [4.5347]
_cell_length_c [31.8942]... |
agm003793438 | AgCr2K | data_[K4Cr8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3014]
_cell_length_b [7.3014]
_cell_length_c [7.3014]
_cel... |
agm002347367 | GeNaPt2 | data_[Na2Ge2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1088]
_cell_length_b [4.1088]
_cell_length_c [7.5206]
_... |
agm003763149 | Br6MnPb | data_[Mn3Pb3Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7845]
_cell_length_b [6.7845]
_cell_length_c [18.6853]
_c... |
agm004286570 | Fe2HgOs | data_[Fe4Hg2Os2]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0978]
_cell_length_b [2.7211]
_cell_length_c [10.4494]
_c... |
agm002507901 | IrLi3Ti | data_[Li3Ti1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4511]
_cell_length_b [4.4511]
_cell_length_c [4.4511]
_c... |
agm004537469 | Ac2As3PPd4 | data_[Ac2As3P1Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5263]
_cell_length_b [4.52... |
agm2000138499 | Br4LaPr | data_[La2Pr2Br8]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.1714]
_cell_length_b [4.0872]
_cell_length_c [19.1308]... |
agm001478309 | FIn2PtZn | data_[Zn1In2Pt1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2558]
_cell_length_b [5.2... |
agm2000033595 | Cu5Se3 | data_[Cu20Se12]
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
]
_symmetry_space_group_name_H-M [Pcca]
_cell_length_a [4.4224]
_cell_length_b [20.6411]
_cell_length_c [17.0395]
_cell_angle_alpha [90.0000]
_ce... |
agm001268549 | AcCFe | data_[Ac1Fe1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4860]
_cell_length_b [3.4860]
_cell_length_c [4.6672]
_cel... |
agm003476349 | Au2KZn5 | data_[K2Zn10Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2907]
_cell_length_b [7.2777]
_cell_length_c [10.5013]
_ce... |
agm004529503 | CuP4Pd3Pr2 | data_[Pr2Cu1P4Pd3]
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
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3015]
_cell_length_b [4.30... |
agm003893496 | Hg2MnPt | data_[Mn1Hg2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0337]
_cell_length_b [4.0086]
_cell_length_c [5.9707]
_ce... |
agm003916506 | AuCdP2 | data_[Cd1P2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1703]
_cell_length_b [3.1703]
_cell_length_c [7.6724]
_cell... |
agm002387441 | CeO4Zn | data_[Ce2Zn2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4920]
_cell_length_b [4.1402]
_cell_length_c [5.6344]
_cell... |
agm004730076 | Ho3Nd4S8Th | data_[Nd12Ho9Th3S24]
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
Th 1.3000 1.8000 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9784]
_cell_length_b [7.9... |
mp-758082 | CoO24P6Sn2Ti3 | data_[Ti9Co3Sn6P18O72]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a ... |
agm005731003 | Br6NbTl | data_[Nb4Tl4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
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 [11.6458]
_cell_length_b [8.9529]
_cell_length_c [11.2474]
... |
agm004052489 | Ca2InW | data_[Ca2In1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4490]
_cell_length_b [4.4490]
_cell_length_c [4.8133]
_ce... |
mp-771345 | CLi3NiO7P | data_[Li6Ni2P2C2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [... |
oqmd-4967454 | AgCsSe3Sm | data_[Cs4Sm4Ag4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2373]
_cell_length_b [16... |
agm001261167 | AcHSi | data_[Ac1Si1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2124]
_cell_length_b [4.2124]
_cell_length_c [4.1099]
_cell... |
agm005099948 | Cl6HgPbSc | data_[Sc1Hg1Pb1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.0859]
_cell_length_b [7.0... |
agm002325181 | TlZnZr2 | data_[Zr8Tl4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9615]
_cell_length_b [6.9615]
_cell_length_c [6.9615]
_c... |
agm005869316 | Nd4ScSm2 | data_[Nd8Sm4Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2375]
_cell_length_b [8.0728]
_cell_length_c [9.5370]
_cell... |
agm002642114 | BCu2Na | data_[Na4Cu8B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7569]
_cell_length_b [5.7569]
_cell_length_c [5.7569]
_cel... |
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