Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003491970 | Ce6Hg2Tc | data_[Ce12Tc2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tc 1.9000 1.3500 0.7417
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6074]
_cell_length_b [6.8907]
_cell_length_c [13.4877]
_... |
agm005530441 | Nb3Ru2 | data_[Nb12Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [15.8874]
_cell_length_b [4.5966]
_cell_length_c [4.5434]
_cell_angle_alpha [90.0000]
_cell... |
agm005915141 | Br3NSc | data_[Sc2Br6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3219]
_cell_length_b [7.7164]
_cell_length_c [9.0770]
_ce... |
agm002739827 | Hg2NbSi | data_[Nb4Si4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8757]
_cell_length_b [6.8757]
_cell_length_c [6.8757]
_c... |
agm001961891 | NpP2Sc | data_[Np3Sc3P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8648]
_cell_length_b [3.8648]
_cell_length_c [18.7847]
_cel... |
agm006057409 | Ag4F6Zn | data_[Zn2Ag8F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [6.6977]
_cell_length_b [6.6977]
_cell_length_c [7.2970]
_c... |
agm001965153 | CePd2Th | data_[Ce3Th3Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Th 1.3000 1.8000 1.0800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2281]
_cell_length_b [4.2281]
_cell_length_c [20.1450]
_c... |
agm002603595 | AsRbSi3 | data_[Rb1Si3As1]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1130]
_cell_length_b [5.1130]
_cell_length_c [5.1130]
_c... |
agm002653015 | AuCI2 | data_[Au4C4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2237]
_cell_length_b [7.2237]
_cell_length_c [7.2237]
_cell_... |
agm001563607 | BaNNb2Tc | data_[Ba1Nb2Tc1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6813]
_cell_length_b [4.6... |
agm005893181 | B4PuZr | data_[Pu4Zr4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Zr 1.3300 1.5500 0.8600
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6096]
_cell_length_b [9.6532]
_cell_length_c [3.7200]
_cel... |
agm005786973 | HoPrSm14 | data_[Pr2Sm28Ho2]
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 [Amm2]
_cell_length_a [11.7327]
_cell_length_b [7.2830]
_cell_length_c [12.6147]
... |
agm003995727 | BeClSi2 | data_[Be3Si6Cl3]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5677]
_cell_length_b [3.5677]
_cell_length_c [18.4148]
_c... |
agm002345080 | Mn | data_[Mn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.4861]
_cell_length_b [2.4861]
_cell_length_c [12.0685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
agm003720635 | SSbTi3 | data_[Ti6Sb2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8754]
_cell_length_b [4.7984]
_cell_length_c [7.6502]
_ce... |
agm001396415 | HfPaPdTc | data_[Hf4Pa4Tc4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pa 1.5000 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7789]
_cell_length_b [6.... |
agm001422512 | BaCuOs2Zn | data_[Ba1Zn1Cu1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1382]
_cell_length_b [5... |
agm005125867 | InLaTb2 | data_[La3Tb6In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6615]
_cell_length_b [3.6615]
_cell_length_c [32.9916]
_ce... |
agm005948340 | Fe9NpU2 | data_[Np3U6Fe27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7564]
_cell_length_b [4.7564]
_cell_length_c [25.2086]
_ce... |
agm001784813 | NSb2TeV | data_[V1Sb2Te1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0229]
_cell_length_b [5.022... |
agm004436128 | AgBeRh2 | data_[Be1Ag1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1706]
_cell_length_b [4.1706]
_cell_length_c [3.1844]
_... |
agm003448998 | Ho4PSb2 | data_[Ho8Sb4P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6357]
_cell_length_b [6.5111]
_cell_length_c [9.2472]
_ce... |
agm001085506 | Ac4CSi2 | data_[Ac8Si4C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1874]
_cell_length_b [5.1874]
_cell_length_c [16.6608]
_c... |
agm005677890 | Cu5Pa2Zn12 | data_[Pa6Zn36Cu15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.8403]
_cell_length_b [8.8403]
_cell_length_c [12.9214]
... |
agm005029041 | AsBiPd3Tl | data_[Tl4Bi4As4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0841]
_cell_length_b [13... |
agm005796218 | ClH2Pr | data_[Pr2H4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9354]
_cell_length_b [3.9354]
_cell_length_c [10.3573]
_ce... |
agm003606060 | LaPtY | data_[La4Y4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8618]
_cell_length_b [6.8977]
_cell_length_c [7.1471]
_cell... |
agm002160520 | AsCuMg | data_[Mg4Cu4As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8119]
_cell_length_b [3.9978]
_cell_length_c [7.3490]
_ce... |
agm003957998 | CaFeOs2 | data_[Ca1Fe1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7358]
_cell_length_b [4.2925]
_cell_length_c [5.8550]
_ce... |
agm003861907 | Al2BaPb | data_[Ba1Al2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4166]
_cell_length_b [4.4405]
_cell_length_c [6.4700]
_cell... |
agm002848555 | HfLiRu2 | data_[Li4Hf4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.8152]
_cell_length_b [6.8152]
_cell_length_c [5.3211]
_c... |
agm001181459 | Er4EuNd | data_[Nd4Eu4Er16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Eu 1.2000 1.8500 1.1985
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.4465]
_cell_length_b [9.4465]
_cell_length_c [9.4465]
_... |
agm003628857 | NiPr2Pt | data_[Pr4Ni2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7603]
_cell_length_b [4.4437]
_cell_length_c [7.9430]
_... |
agm004793742 | Ag2CdCuSc4 | data_[Sc12Cd3Cu3Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8530]
_cell_length_b [4.... |
agm004349923 | CrScW2 | data_[Sc2Cr2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cr 1.6600 1.4000 0.9400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.2606]
_cell_length_b [9.2624]
_cell_length_c [2.6737]
_cell... |
oqmd-6136649 | Au4CeLa2Si4 | data_[La4Ce2Si8Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3384]
_cell_length_b [4.3... |
agm005417805 | K4Si | data_[K8Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.1035]
_cell_length_b [8.1035]
_cell_length_c [8.1035]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001010100 | BrCeTb | data_[Tb4Ce4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6327]
_cell_length_b [3.5381]
_cell_length_c [6.5292]
_c... |
agm005471042 | CdLi4Ru | data_[Li16Cd4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0082]
_cell_length_b [7.0082]
_cell_length_c [7.0082]
_... |
agm2000060861 | HoTe3Tm | data_[Ho1Tm1Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3046]
_cell_length_b [18.9985]
_cell_length_c [8.0147]
_c... |
agm006062470 | CoLa6Tl3 | data_[La12Tl6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0896]
_cell_length_b [5.4232]
_cell_length_c [11.3967... |
agm001746802 | IO2OsPt | data_[Os1Pt1I1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
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 [3.7911]
_cell_length_b [3.791... |
agm002910466 | B2In2Re | data_[In4Re2B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9007]
_cell_length_b [2.9007]
_cell_length_c [17.2042]
_c... |
agm001285705 | GeLiNiSn | data_[Li4Ni4Sn4Ge4]
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
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3497]
_cell_length_b [6.... |
agm001226387 | PmPu2Sn | data_[Pm1Pu2Sn1]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6182]
_cell_length_b [4.6182]
_cell_length_c [5.1371]
_... |
agm003754200 | AcLaS4 | data_[Ac4La4S16]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.5143]
_cell_length_b [7.5143]
_cell_length_c [11.4130]... |
agm001354565 | AgAlSmTm | data_[Sm4Tm4Al4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3205]
_cell_length_b [7.... |
agm002513501 | AgLi3Zr | data_[Li3Zr1Ag1]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6443]
_cell_length_b [4.6443]
_cell_length_c [4.6443]
_c... |
oqmd-7410226 | KNiSe3Ti | data_[K4Ti4Ni4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6660]
_cell_length_b [15.2... |
agm004602956 | Pb2Sc6SnTe3 | data_[Sc12Sn2Te6Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3494]
_cell_length_b [4... |
agm003723721 | HoNi3Sn | data_[Ho4Ni12Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2689]
_cell_length_b [10.0671]
_cell_length_c [6.9637]
_... |
agm003774523 | BiCdIn6 | data_[Cd1In6Bi1]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0067]
_cell_length_b [5.0067]
_cell_length_c [8.8326]
_... |
agm004803427 | Al2Au4CaLi | data_[Li3Ca3Al6Au12]
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
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4632]
_cell_length_b [4.... |
agm001289203 | GeSmTbTl | data_[Tb4Sm4Tl4Ge4]
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
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4620]
_cell_length_b [7.... |
agm003882684 | Ag2CdRh | data_[Cd1Ag2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.8926]
_cell_length_b [4.1784]
_cell_length_c [5.7436]
_ce... |
agm004139373 | BeBr2In | data_[Be1In1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3824]
_cell_length_b [3.3824]
_cell_length_c [8.7728]
_ce... |
oqmd-8975646 | Mo4N3Pb3Ti2 | data_[Ti8Mo16Pb12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mo 2.1600 1.4500 0.7750
Pb 2.3300 1.8000 1.1225
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8333]
_cell_length_b [5.... |
agm006086841 | Sc4Sm7Y | data_[Sm7Y1Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1195]
_cell_length_b [7.0661]
_cell_length_c [8.6744]
_cell_... |
oqmd-9160936 | Cr2InO8Sc | data_[Sc1Cr2In1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5491]
_cell_length_b [5.54... |
oqmd-6481837 | CuIrNaP2 | data_[Na2Cu2P4Ir2]
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
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9998]
_cell_length_b [3.99... |
agm004810799 | CaGePb2Te4 | data_[Ca1Ge1Te4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8404]
_cell_length_b [4.5... |
agm002843262 | In2KNb | data_[K4Nb4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.9150]
_cell_length_b [5.9150]
_cell_length_c [19.2771]
_ce... |
agm001111848 | Ag2EuPu | data_[Eu4Pu4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Pu 1.2800 1.7500 0.9675
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4998]
_cell_length_b [7.4998]
_cell_length_c [7.4998]
_c... |
oqmd-5092470 | GaGe13MnSi17 | data_[Mn1Ga1Si17Ge13]
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
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6071]
_cell_length_b [3.9... |
agm004519881 | Ac2Pt4Sb3Sm | data_[Ac2Sm1Sb3Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6786]
_cell_length_b [4.... |
agm004584933 | DySe6Tl2U2 | data_[Dy2U4Tl4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
U 1.3800 1.7500 0.9913
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1936]
_cell_length_b [12.4... |
agm001596297 | Ag2HfPdTl | data_[Hf1Tl1Ag2Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1725]
_cell_length_b [5... |
agm004030931 | CoRu2Zn | data_[Zn2Co2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.7669]
_cell_length_b [4.5052]
_cell_length_c [8.7479]
_ce... |
agm005989535 | AgDy4Ho3 | data_[Dy4Ho3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5356]
_cell_length_b [3.5356]
_cell_length_c [18.9042]
... |
oqmd-4145208 | HTa | data_[Ta1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9575]
_cell_length_b [2.9575]
_cell_length_c [2.7902]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001554952 | CaCuOsPb2 | data_[Ca1Cu1Os1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7687]
_cell_length_b [5... |
agm001409469 | AlGdHgHo | data_[Gd4Ho4Al4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3826]
_cell_length_b [7.... |
agm001818732 | Ca12F5Tl3 | data_[Ca96Tl24F40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.4255]
_cell_length_b [16.4255]
_cell_length_c [16.4255... |
agm005677376 | Ge4Pm2Tm3 | data_[Pm4Tm6Ge8]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8844]
_cell_length_b [7.8011]
_cell_length_c [7.5943]
_... |
agm2000135409 | H6InK2O6 | data_[K2In1H6O6]
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
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.5575]
_cell_length_b [6.5575]
_c... |
agm2000065753 | K2Sn2Te3 | data_[K2Sn2Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.4691]
_cell_length_b [4.5647]
_cell_length_c [20.6860]
_cell_... |
mp-1093790 | Ga2PdTc | data_[Ga4Tc2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.6869]
_cell_length_b [10.3925]
_cell_length_c [14.6388]
_... |
agm005859121 | HPRb4 | data_[Rb16P4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5512]
_cell_length_b [17.3844]
_cell_length_c [10.7453]
_cel... |
agm001424314 | Be2BiKO | data_[K1Be2Bi1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9967]
_cell_length_b [4.996... |
oqmd-6561559 | FeV2 | data_[V16Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.6741]
_cell_length_b [6.6741]
_cell_length_c [6.6741]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005050849 | BaBeMnO4 | data_[Ba2Mn2Be2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8711]
_cell_length_b [5.4... |
agm005160652 | MgSm2TbTe5 | data_[Tb4Sm8Mg4Te20]
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
Mg 1.3100 1.5000 0.8600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3311]
_cell_length_b [... |
agm2000053708 | As3CrCu3 | data_[Cr1Cu3As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8127]
_cell_length_b [19.1379]
_cell_length_c [6.7943]
_cel... |
agm001679827 | AsBr2CIn | data_[In1As1C1Br2]
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
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5102]
_cell_length_b [5.5... |
oqmd-8881488 | LiRbSe3Zr | data_[Rb4Li4Zr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.4255]
_cell_length_b [4... |
agm001381340 | GdInLiOs | data_[Li4Gd4In4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7662]
_cell_length_b [6.... |
agm005048700 | BaGeSe4Sr | data_[Ba2Sr2Ge2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1722]
_cell_length_b [7... |
agm001020362 | AgCdPa | data_[Pa2Cd2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8936]
_cell_length_b [2.9522]
_cell_length_c [16.1081]
_c... |
agm003726724 | S3TeU | data_[U4Te4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4556]
_cell_length_b [4.2189]
_cell_length_c [7.0343]
_cell... |
agm004770008 | AsS4Tl2Zn | data_[Tl16Zn8As8S32]
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
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.9548]
_cell_length_b [13.... |
agm006079371 | Ba12Si5Tl | data_[Ba24Tl2Si10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [11.0141]
_cell_length_b [11.5508]
_cell_length_c [11.8244... |
agm001751856 | INO2Zn | data_[Zn1I1N1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0187]
_cell_length_b [4.0187]... |
agm006005823 | SmTb4Tm10 | data_[Tb8Sm2Tm20]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.7068]
_cell_length_b [9.7068]
_cell_length_c [10.7672]
_... |
agm001546310 | BaCInRe2 | data_[Ba1In1Re2C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2308]
_cell_length_b [5.2... |
agm005888758 | PbSr2Tl2 | data_[Sr8Tl8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6717]
_cell_length_b [4.8633]
_cell_length_c [10.3819]
_... |
oqmd-6428676 | AcLa2Si2 | data_[Ac4La8Si8]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.5392]
_cell_length_b [5.5392]
_cell_length_c [18.8158... |
agm004561884 | HoPm4Pr2Sm2 | data_[Pm8Pr4Sm4Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
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 [C2/m]
_cell_length_a [19.0633]
_cell_length_b [3.... |
mp-1245612 | Mn7N6Si | data_[Mn28Si4N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [8.6211]
_cell_length_b [5.9137]
_cell_length_c [10.5229]
_c... |
agm005518716 | Rh3Ta5 | data_[Ta20Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2007]
_cell_length_b [14.3783]
_cell_length_c [7.6141]
_cell_angle_alpha [90.0000]
_cel... |
agm001542375 | CCuFe2Zr | data_[Zr1Fe2Cu1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8861]
_cell_length_b [3.8... |
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