Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm2000081869 | BeNNa | data_[Na1Be1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Be 1.5700 1.0500 0.5900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0350]
_cell_length_b [4.6874]
_cell_length_c [15.2137]
_cel... |
agm005128102 | Bi2ErHo | data_[Ho3Er3Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4182]
_cell_length_b [4.4182]
_cell_length_c [22.6219]
_ce... |
agm004259476 | CrReTe2 | data_[Cr2Re2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2525]
_cell_length_b [4.1406]
_cell_length_c [12.5698]
_c... |
agm005115182 | PdTe2Tm | data_[Tm3Te6Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1720]
_cell_length_b [4.1720]
_cell_length_c [20.7074]
_ce... |
agm005815743 | Au3NiZn | data_[Zn4Ni4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1574]
_cell_length_b [18.4768]
_cell_length_c [4.1310]
_... |
agm005867332 | RuTmY3 | data_[Y12Tm4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9542]
_cell_length_b [3.9107]
_cell_length_c [12.8780]
_cel... |
agm002985036 | BaI2K2 | data_[K4Ba2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5735]
_cell_length_b [9.5735]
_cell_length_c [5.2647]
_cell... |
oqmd-3494669 | AsLuMn | data_[Lu4Mn4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.6483
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5794]
_cell_length_b [6.5794]
_cell_length_c [6.5794]
_c... |
agm003670472 | Cd7Ga4Sn | data_[Cd7Ga4Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7921]
_cell_length_b [4.7921]
_cell_length_c [13.8279]
_... |
agm003623515 | ErTb2Tc | data_[Tb8Er4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8979]
_cell_length_b [11.8806]
_cell_length_c [9.1809]
_c... |
agm004082204 | La2ReSr | data_[Sr2La4Re2]
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
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.8825]
_cell_length_b [4.8825]
_cell_length_c [9.3080]
_c... |
agm004046314 | BrCuLa | data_[La2Cu2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8296]
_cell_length_b [3.8296]
_cell_length_c [10.2755]
_c... |
agm002882175 | AgMnS2 | data_[Mn4Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.5132]
_cell_length_b [5.5132]
_cell_length_c [10.2419]
_ce... |
agm004469876 | BBr6Cs2Os | data_[Cs8B4Os4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6666]
_cell_length_b [10... |
agm003718161 | Hg3PdPm | data_[Pm4Hg12Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.5553]
_cell_length_b [5.5553]
_cell_length_c [18.6085]
... |
agm002422989 | BePd3Si | data_[Be1Si1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1955]
_cell_length_b [4.1955]
_cell_length_c [4.1955]
_c... |
agm005530229 | Hg2Pm3 | data_[Pm6Hg4]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7783]
_cell_length_b [3.7783]
_cell_length_c [20.3887]
_cell_angle_alpha [90.0000]
_cel... |
agm001517974 | HgNbPRb2 | data_[Rb2Nb1Hg1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nb 1.6000 1.4500 0.8200
Hg 2.0000 1.5000 1.2450
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.8052]
_cell_length_b [6.8... |
agm2000061420 | Se2SrZn | data_[Sr1Zn1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4616]
_cell_length_b [19.1085]
_cell_length_c [4.8275]
_c... |
oqmd-6450456 | AlCo2DyZr | data_[Dy2Zr2Al2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0726]
_cell_length_b [5.3... |
agm004110494 | AsCaPb2 | data_[Ca3As3Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1077]
_cell_length_b [4.1077]
_cell_length_c [25.3496]
_c... |
agm003885085 | Ba2PbPt | data_[Ba4Pt2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9948]
_cell_length_b [5.4985]
_cell_length_c [12.5228]
_c... |
agm005405612 | Li6Pa | data_[Li12Pa2]
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
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [6.7151]
_cell_length_b [6.7151]
_cell_length_c [6.7151]
_cell_angle_alpha [90.0000]
_cell... |
agm004553525 | Bi2Li2NdPr2 | data_[Li6Pr6Nd3Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9273]
_cell_length_b [4.9... |
agm001479021 | FLi2OsRe | data_[Li2Re1Os1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2535]
_cell_length_b [5.2... |
agm002444691 | AgCl3Cs | data_[Cs1Ag1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.1103]
_cell_length_b [6.1103]
_cell_length_c [6.1103]
_c... |
agm001453495 | AsLiP2Zn | data_[Li1Zn1As1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7957]
_cell_length_b [4.7... |
oqmd-9704922 | B2KO6SrY | data_[K2Sr2Y2B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [... |
agm003432696 | Ge2OTm3 | data_[Tm12Ge8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.4094]
_cell_length_b [7.5949]
_cell_length_c [6.3206]
_ce... |
oqmd-8924790 | EuLaLiSe3 | data_[Li4La4Eu4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1891]
_cell_length_b [4... |
agm005099161 | AgCsI6In | data_[Cs2In2Ag2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.4208]
_cell_length_b [12.547... |
agm2000064573 | Au2Cr2Se3 | data_[Cr4Au4Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.0405]
_cell_length_b [3.6566]
_cell_length_c [21.0719]
_ce... |
agm003571814 | AuPm6Sn3 | data_[Pm24Sn12Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2372]
_cell_length_b [15.1204]
_cell_length_c [7.308... |
agm004227090 | CaOsRe | data_[Ca4Re4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.1536]
_cell_length_b [4.6147]
_cell_length_c [14.4013]
_c... |
agm003684492 | Pd12Sn6Th | data_[Th3Sn18Pd36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.0728]
_cell_length_b [12.0728]
_cell_length_c [8.8415]... |
agm005038878 | LaN3NdY | data_[La2Nd2Y2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2073]
_cell_length_b [3.625... |
agm005431795 | Cl4MoY | data_[Y4Mo4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.2908]
_cell_length_b [8.2908]
_cell_length_c [8.2908]
_ce... |
agm003526774 | Cd8Hg2Pt | data_[Cd16Hg4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4946]
_cell_length_b [4.7860]
_cell_length_c [5.6018]
_... |
agm001338004 | GdLuRhSn | data_[Gd4Lu4Sn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Lu 1.2700 1.7500 1.0010
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1772]
_cell_length_b [7.... |
oqmd-5907049 | B4PbTl | data_[Tl1B4Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
B 2.0400 0.8500 0.4100
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.1406]
_cell_length_b [3.1406]
_cell_length_c [9.8790]
_ce... |
agm003634980 | HoIrRh2 | data_[Ho4Ir4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.4248]
_cell_length_b [8.4038]
_cell_length_c [7.7906]
_ce... |
mp-1224934 | F36Ga12O | data_[Ga24O2F72]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.3303]
_cell_length_b [14.9886]
_cell_length_c [12.6210]
_ce... |
agm004484837 | F6HfOsRb2 | data_[Rb4Hf2Os2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hf 1.3000 1.5500 0.8500
Os 2.2000 1.3000 0.6730
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.4634]
_cell_length_b [7.... |
agm001159937 | BiPmTm2 | data_[Pm1Tm2Bi1]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0097]
_cell_length_b [4.0097]
_cell_length_c [7.4603]
_... |
agm002905363 | PbRu2Zn | data_[Zn4Ru8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.0836]
_cell_length_b [4.0836]
_cell_length_c [18.3450]
_... |
agm002456328 | Cr3FeTl | data_[Tl1Cr3Fe1]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4059]
_cell_length_b [4.4059]
_cell_length_c [4.4059]
_c... |
agm003651855 | Pr5SmTm4 | data_[Pr10Sm2Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2935]
_cell_length_b [3.5935]
_cell_length_c [10.5826]
... |
agm002829489 | Au2BaFe | data_[Ba4Fe4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.3192]
_cell_length_b [5.3192]
_cell_length_c [17.2154... |
oqmd-7841508 | Cd3Cl3O4P | data_[Cd9P3Cl9O12]
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
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [13.1559]
_cell_length_b [13.1559... |
agm2000123067 | AgPr2 | data_[Pr2Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5454]
_cell_length_b [3.5454]
_cell_length_c [19.0092]
_cell_angle_alpha [90.0000]
_cel... |
agm003583551 | HoPr7Sm3 | data_[Pr14Sm6Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.0090]
_cell_length_b [11.4827]
_cell_length_c [11.5163]
... |
oqmd-9000440 | Cr2FeLiO6 | data_[Li4Cr8Fe4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5181]
_cell_length_b [8.3... |
oqmd-5319641 | Ir2KP2 | data_[K2P4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9585]
_cell_length_b [3.9585]
_cell_length_c [13.1987]
_cel... |
oqmd-9663498 | NPV3 | data_[V12P4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1053]
_cell_length_b [9.6692]
_cell_length_c [7.3765]
_cell_an... |
agm004847563 | CeN4Sm2Zr | data_[Ce1Sm2Zr1N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0467]
_cell_length_b [3.480... |
agm002583261 | AsRh3S | data_[As1Rh3S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5655]
_cell_length_b [4.5655]
_cell_length_c [4.5655]
_cel... |
agm2000076380 | Cl3ITl2 | data_[Tl2I1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3346]
_cell_length_b [9.8138]
_cell_length_c [19.6255]
_cel... |
agm005162269 | HoSc2Sm5Tb | data_[Tb4Sm20Ho4Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6559]
_cell_length_b [... |
agm002934008 | Au2NSn2 | data_[Sn4Au4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7038]
_cell_length_b [3.7038]
_cell_length_c [15.5938]
_c... |
oqmd-5270557 | CuIrMgTe3 | data_[Mg4Cu4Te12Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0858]
_cell_length_b [12... |
agm001323467 | AuCdCuNi | data_[Cd4Cu4Ni4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2412]
_cell_length_b [6.... |
agm001799553 | ILiTe2Zr | data_[Li1Zr1Te2I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0606]
_cell_length_b [5.0... |
oqmd-4760209 | DyO3TlZn | data_[Dy4Tl4Zn4O12]
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
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5313]
_cell_length_b [12.0... |
agm2000045914 | Dy2O3 | data_[Dy6O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.0016]
_cell_length_b [9.0016]
_cell_length_c [17.2267]
_cell_angle_alpha [90.0000]
_cell_an... |
agm2000143709 | Cl6MnW | data_[Mn1W1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.3752]
_cell_length_b [6.3752]
_cell_length_c [17.7583]
_cel... |
agm004594126 | Ba6Br3ClGe2 | data_[Ba12Ge4Br6Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.2735]
_cell_length_b [4... |
agm004635106 | Na2ScSe6Sn3 | data_[Na4Sc2Sn6Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2538]
_cell_length_b [12... |
agm003417009 | OPr3Si2 | data_[Pr12Si8O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1403]
_cell_length_b [5.9763]
_cell_length_c [7.8411]
_ce... |
agm004402911 | KYZr | data_[K2Y2Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4079]
_cell_length_b [3.4079]
_cell_length_c [17.9741]
_cell_... |
agm001481731 | BeCuMoSc2 | data_[Sc2Be1Cu1Mo1]
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
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7005]
_cell_length_b [4... |
agm004926342 | Ac2BeIrPt6 | data_[Ac6Be3Ir3Pt18]
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
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0374]
_cell_length_b [6.... |
agm005032900 | CdCsSbTe3 | data_[Cs2Cd2Sb2Te6]
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
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.2074]
_cell_length_b [... |
agm004634235 | Ho3Tb6Tm2Y | data_[Tb12Y2Ho6Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1366]
_cell_length_b [10.6... |
agm005478751 | CuRh4Sr | data_[Sr4Cu4Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4978]
_cell_length_b [7.4978]
_cell_length_c [7.4978]
_... |
agm003667920 | In4Sc7Tb | data_[Tb2Sc14In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5936]
_cell_length_b [5.2954]
_cell_length_c [10.1873]
... |
oqmd-5133274 | AgOPW | data_[Ag2P2W2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5046]
_cell_length_b [3.5046]... |
agm006057400 | CuGe2S4 | data_[Cu1Ge2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.3961]
_cell_length_b [5.3961]
_cell_length_c [5.2144]
_cel... |
agm001917737 | CoNiNpPa | data_[Np4Pa4Co4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Pa 1.5000 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3362]
_cell_length_b [6.... |
agm002905919 | IOsZr2 | data_[Zr8Os4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Os 2.2000 1.3000 0.6730
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.1868]
_cell_length_b [6.1868]
_cell_length_c [13.2016]
_ce... |
agm2000118462 | Cl5Tb6 | data_[Tb6Cl5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.4150]
_cell_length_b [6.4150]
_cell_length_c [21.5078]
_cell_angle_alpha [90.0000]
_cell_... |
agm001850856 | Pd2Th | data_[Th2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7758]
_cell_length_b [3.7758]
_cell_length_c [8.9952]
_cell_angle_alpha [90.0000]
_cell... |
agm003580702 | NNd6Tl3 | data_[Nd12Tl6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2632]
_cell_length_b [6.9457]
_cell_length_c [7.0447]
_ce... |
agm003317666 | Br2K2O7 | data_[K4Br4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6330]
_cell_length_b [10.1398]
_cell_length_c [5.2404]
_cell... |
agm005731244 | Cl2IP | data_[P2I2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.4750]
_cell_length_b [11.7112]
_cell_length_c [5.2862]
_cell_an... |
agm004200689 | AgLiRu2 | data_[Li2Ag2Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.7992]
_cell_length_b [4.6422]
_cell_length_c [9.3252]
_ce... |
mp-2714234 | Mg3Na7O24S3Si3Ta | data_[Na21Mg9Ta3Si9S9O72]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_gro... |
agm002378869 | PTiYb | data_[Yb4Ti4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ti 1.5400 1.4000 0.8517
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9168]
_cell_length_b [3.9168]
_cell_length_c [15.4514]
_c... |
oqmd-6032085 | AgMg3Rh2Y3 | data_[Y3Mg3Ag1Rh2]
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
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4615]
_cell_length_b [7.46... |
agm005942172 | Ga3InPm3 | data_[Pm12In4Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4154]
_cell_length_b [4.5071]
_cell_length_c [14.6074]... |
agm006027670 | Ag15Cd4In | data_[Cd4In1Ag15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1775]
_cell_length_b [4.1775]
_cell_length_c [21.3027]... |
agm003461834 | Ga2LaZn4 | data_[La2Zn8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2268]
_cell_length_b [14.6204]
_cell_length_c [4.1973]
_c... |
agm004885547 | Be2CsF8Nd | data_[Cs3Nd3Be6F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nd 1.1400 1.8500 1.2765
Be 1.5700 1.0500 0.5900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2873]
_cell_length_b [5.287... |
agm006035990 | Ag8Se6Sr | data_[Sr3Ag24Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.3697]
_cell_length_b [7.3697]
_cell_length_c [21.9597]
_... |
agm005202006 | CeGeORu | data_[Ce2Ge2Ru2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1675]
_cell_length_b [4.1... |
agm002857694 | AsIn2N | data_[In8As4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6570]
_cell_length_b [5.6570]
_cell_length_c [10.9083]
_ce... |
agm002854526 | HfMn2Re | data_[Hf4Mn8Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mn 1.5500 1.4000 0.6483
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.9422]
_cell_length_b [6.9422]
_cell_length_c [5.3883]
_c... |
agm004419109 | P2TeTl | data_[Tl3Te3P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0460]
_cell_length_b [4.0460]
_cell_length_c [19.7816]
_cel... |
oqmd-2132939 | BeMnNiSn | data_[Mn4Be4Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9905]
_cell_length_b [5.... |
agm005429397 | Au4CaSc | data_[Ca4Sc4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9300]
_cell_length_b [7.9300]
_cell_length_c [7.9300]
_... |
oqmd-3394896 | B2CaCo | data_[Ca4Co4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6695]
_cell_length_b [5.6695]
_cell_length_c [5.6695]
_cel... |
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