Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-866114 | HfTc2W | data_[Hf4Tc8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3834]
_cell_length_b [6.3834]
_cell_length_c [6.3834]
_cel... |
mp-1095197 | SmCdGa | data_[Sm3Cd3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3955]
_cell_length_b [7.3955]
_cell_length_c [4.4538]
_c... |
mp-755328 | ZrSn2 | data_[Zr8Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.7319]
_cell_length_b [9.7062]
_cell_length_c [9.9941]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1182608 | Ce5Al2Ru3 | data_[Ce30Al12Ru18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [13.7902]
_cell_length_b [13.7902]
_cell_length_c [8.3337]
... |
mp-865884 | LuInRh2 | data_[Lu4In4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5757]
_cell_length_b [6.5757]
_cell_length_c [6.5757]
_c... |
mp-20357 | Ce2InPt2 | data_[Ce4In2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8557]
_cell_length_b [7.8557]
_cell_length_c [3.7636]
_... |
mp-1186304 | NdAs2Au | data_[Nd4As8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [20.8929]
_cell_length_b [4.0981]
_cell_length_c [4.1407]
_c... |
mp-559944 | YbMn4(CuO4)3 | data_[Yb2Mn8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.3725]
_cell_length_b [7.37... |
mp-1025079 | EuAsPd | data_[Eu2As2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3248]
_cell_length_b [4.3248]
_cell_length_c [8.4658]... |
mp-3721 | SrHfO3 | data_[Sr4Hf4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.7819]
_cell_length_b [5.7819]
_cell_length_c [8.3305]
_c... |
mp-1106196 | Lu4Ga12Ni | data_[Lu8Ga24Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5267]
_cell_length_b [8.5267]
_cell_length_c [8.5267]
_... |
mp-862750 | SrNiSn2 | data_[Sr4Ni4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6493]
_cell_length_b [18.8895]
_cell_length_c [4.5933]
_c... |
mp-1181730 | GdMn4(CuO4)3 | data_[Gd2Mn8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4280]
_cell_length_b [7.42... |
mp-1208299 | TbSBr | data_[Tb4S4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8180]
_cell_length_b [6.9181]
_cell_length_c [6.7999]
_ce... |
mp-1222921 | LaAlCu4 | data_[La1Al1Cu4]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3337]
_cell_length_b [5.3337]
_cell_length_c [4.0213]
_c... |
mp-22119 | U(PdS2)2 | data_[U4Pd8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [6.7805]
_cell_length_b [6.7805]
_cell_length_c [11.8754]
_ce... |
mp-776954 | Li2MnPHO5 | data_[Li4Mn2P2H2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5... |
mp-758835 | Na(Cu3O4)2 | data_[Na4Cu24O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1655]
_cell_length_b [9.1655]
_cell_length_c [9.1655]
_c... |
mp-1222057 | MgFe4CoO8 | data_[Mg3Fe12Co3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.0296]
_cell_length_b [6.02... |
mp-867985 | SmPbAu2 | data_[Sm4Pb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2308]
_cell_length_b [7.2308]
_cell_length_c [7.2308]
_c... |
mp-545522 | CoBiO3 | data_[Co1Bi1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7508]
_cell_length_b [3.7508]
_cell_length_c [4.8724]
_cell... |
mp-1071618 | NdCuSn | data_[Nd2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5800]
_cell_length_b [4.5800]
_cell_length_c [7.8328]... |
mp-1207684 | TmMn2SiC | data_[Tm4Mn8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6615]
_cell_length_b [10.54... |
mp-29127 | Bi(TeBr2)2 | data_[Bi2Te4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
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 [7.5145]
_cell_length_b [8.0441]
_cell_length_c [9.3635]
_cel... |
mp-19718 | CeInAu | data_[Ce3In3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7397]
_cell_length_b [7.7397]
_cell_length_c [4.3098]
_c... |
mp-973556 | LuTh3 | data_[Lu1Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0375]
_cell_length_b [5.0375]
_cell_length_c [5.0375]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1113867 | Rb2AlAgCl6 | data_[Rb8Al4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.2374]
_cell_length_b [... |
mp-865180 | ThAu3 | data_[Th2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.5343]
_cell_length_b [6.5343]
_cell_length_c [4.8086]
_cell_angle_alpha [90.0000]
_ce... |
mp-753604 | LiVF6 | data_[Li2V2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2345]
_cell_length_b [5.3986]
_cell_length_c [9.1415]
_cel... |
mp-1102152 | DyNiP | data_[Dy4Ni4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9020]
_cell_length_b [3.9020]
_cell_length_c [15.4137]
... |
mp-1186069 | Na(MoSe)3 | data_[Na2Mo6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.8239]
_cell_length_b [8.8239]
_cell_length_c [4.5259]
_... |
mp-1216535 | TmCuGe | data_[Tm1Cu1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2061]
_cell_length_b [4.2061]
_cell_length_c [3.6121]
_c... |
mp-1080496 | GdInAu | data_[Gd3In3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8060]
_cell_length_b [7.8060]
_cell_length_c [4.0638]
_c... |
mp-570091 | Rb(CoSe)2 | data_[Rb2Co4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9174]
_cell_length_b [3.9174]
_cell_length_c [13.9522]
... |
mp-9341 | GdAgGe | data_[Gd3Ag3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2434]
_cell_length_b [7.2434]
_cell_length_c [4.2694]
_c... |
mp-1103722 | Al2PbS4 | data_[Al8Pb4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [5.9650]
_cell_length_b [10.5571]
_cell_length_c [10.6141]
_c... |
mp-862923 | PmInAg2 | data_[Pm4In4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1217]
_cell_length_b [7.1217]
_cell_length_c [7.1217]
_c... |
mp-862958 | PmRh2Pb | data_[Pm4Rh8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8511]
_cell_length_b [6.8511]
_cell_length_c [6.8511]
_c... |
mp-1222747 | LaTa2AgO7 | data_[La2Ta4Ag2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9100]
_cell_length_b [3.9... |
mp-1232425 | Gd2NiIr | data_[Gd8Ni4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8742]
_cell_length_b [6.8742]
_cell_length_c [6.8742]
_c... |
mp-865580 | Li2DyIn | data_[Li8Dy4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8595]
_cell_length_b [6.8595]
_cell_length_c [6.8595]
_c... |
mp-1188286 | Tb2Ge5Rh3 | data_[Tb8Ge20Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5902]
_cell_length_b [12.1088]
_cell_length_c [5.9565]... |
mp-20619 | SbRh | data_[Sb4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0569]
_cell_length_b [3.9165]
_cell_length_c [6.4233]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1186654 | PmTmMg2 | data_[Pm4Tm4Mg8]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6179]
_cell_length_b [7.6179]
_cell_length_c [7.6179]
_c... |
mp-862952 | PmNi2Sn | data_[Pm4Ni8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5770]
_cell_length_b [6.5770]
_cell_length_c [6.5770]
_c... |
mp-34337 | H4NCl | data_[H4N1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [3.8771]
_cell_length_b [3.8771]
_cell_length_c [3.8771]
_cell_... |
mp-1187610 | TmMg3 | data_[Tm4Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2867]
_cell_length_b [7.2867]
_cell_length_c [7.2867]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183846 | DyLu3 | data_[Dy2Lu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0763]
_cell_length_b [7.0763]
_cell_length_c [5.5319]
_cell_angle_alpha [90.0000]
_ce... |
mp-1095270 | Na5NpO6 | data_[Na10Np2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Np 1.3600 1.7500 1.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8748]
_cell_length_b [10.1118]
_cell_length_c [5.8198]
_c... |
mp-510278 | GdTiO3 | data_[Gd4Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7062]
_cell_length_b [7.7467]
_cell_length_c [5.4119]
_cel... |
mp-1185542 | CsK2Rb | data_[Cs4K8Rb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1759]
_cell_length_b [11.1759]
_cell_length_c [11.1759]
_... |
mp-557183 | KNaZnO2 | data_[K4Na4Zn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1121]
_cell_length_b [9.7972]... |
mp-1219889 | Pr2Ho | data_[Pr8Ho4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6514]
_cell_length_b [3.6514]
_cell_length_c [35.5901]
_cell_angle_alpha [90.0000]
_cell... |
mp-38494 | Y4AsSe3 | data_[Y8As2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7928]
_cell_length_b [5.7928]
_cell_length_c [11.6047]
_c... |
mp-1185309 | LiAg2Sb | data_[Li4Ag8Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7963]
_cell_length_b [6.7963]
_cell_length_c [6.7963]
_c... |
mp-1222924 | LaCeOs4 | data_[La4Ce4Os16]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6932]
_cell_length_b [7.6932]
_cell_length_c [7.6932]
_... |
mp-1206016 | PrInPt | data_[Pr3In3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7711]
_cell_length_b [7.7711]
_cell_length_c [4.1064]
_c... |
mp-1216755 | U2CoSi3 | data_[U2Co1Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7256]
_cell_length_b [4.0246]
_cell_length_c [6.8931]
_cell... |
mp-867507 | TaGaFe2 | data_[Ta4Ga4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8866]
_cell_length_b [5.8866]
_cell_length_c [5.8866]
_c... |
mp-1147705 | RbInH3 | data_[Rb8In8H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8494]
_cell_length_b [8.8494]
_cell_length_c [8.8494]
_ce... |
mp-675740 | Ca(CeTe2)2 | data_[Ca4Ce8Te16]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.5503]
_cell_length_b [9.5503]
_cell_length_c [9.6585]
_... |
mp-5756 | Cu3PSe4 | data_[Cu6P2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7534]
_cell_length_b [6.7293]
_cell_length_c [6.4307]
_ce... |
mp-1078795 | TmGe3 | data_[Tm4Ge12]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0247]
_cell_length_b [20.6621]
_cell_length_c [3.9359]
_cell_angle_alpha [90.0000]
_cell... |
mp-1214296 | BaTi(PO4)2 | data_[Ba2Ti2P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3081]
_cell_length_b [5.2567... |
mp-1184056 | Eu2InHg | data_[Eu8In4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9485]
_cell_length_b [7.9485]
_cell_length_c [7.9485]
_c... |
mp-4438 | CaSnO3 | data_[Ca4Sn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7562]
_cell_length_b [8.0014]
_cell_length_c [5.5831]
_cel... |
mp-1223207 | KZnCuTe2 | data_[K2Zn2Cu2Te4]
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
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3052]
_cell_length_b [4.30... |
mp-1216105 | YGa3NiGe | data_[Y4Ga12Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2075]
_cell_length_b [4.20... |
mp-3163 | BaSnO3 | data_[Ba1Sn1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1886]
_cell_length_b [4.1886]
_cell_length_c [4.1886]
_cel... |
mp-9744 | BaAsPd | data_[Ba1As1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3942]
_cell_length_b [4.3942]
_cell_length_c [4.8302]
_c... |
mp-18720 | Mn2CdO4 | data_[Mn8Cd4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.9296]
_cell_length_b [5.9296]
_cell_length_c [9.9737]
... |
mp-979980 | VPd3 | data_[V2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5268]
_cell_length_b [5.5268]
_cell_length_c [4.4880]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217528 | TbGaAg | data_[Tb4Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4853]
_cell_length_b [4.6049]
_cell_length_c [7.2378]
_c... |
mp-9798 | Rb(SbSe2)2 | data_[Rb2Sb4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8939]
_cell_length_b [7.1048]
_cell_length_c [9.7078]
_cel... |
mp-1208327 | TbAl3Ni2 | data_[Tb3Al9Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.0594]
_cell_length_b [9.0594]
_cell_length_c [4.0605]
_... |
mp-1080170 | MoW(SeS)2 | data_[Mo2W2Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.2556]
_cell_length_b [3.2556... |
mp-1183559 | CaLuHg2 | data_[Ca4Lu4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Lu 1.2700 1.7500 1.0010
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4065]
_cell_length_b [7.4065]
_cell_length_c [7.4065]
_c... |
mp-639892 | GdMn12 | data_[Gd2Mn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3160]
_cell_length_b [8.3160]
_cell_length_c [4.6251]
_cell_angle_alpha [90.0000]
_cel... |
mp-23208 | UCl3 | data_[U2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.5176]
_cell_length_b [7.5176]
_cell_length_c [4.2555]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-4483 | AgAsSe2 | data_[Ag3As3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9254]
_cell_length_b [3.9254]
_cell_length_c [19.7304]
_c... |
mp-1227759 | Ca3NdMn4O12 | data_[Ca3Nd1Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3874]
_cell_length_b [7.6898... |
mp-571624 | Dy3Al2 | data_[Dy12Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.2374]
_cell_length_b [8.2374]
_cell_length_c [7.6113]
_cell_angle_alpha [90.0000]
_c... |
mp-1222763 | LaSmB12 | data_[La1Sm1B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1354]
_cell_length_b [4.1354]
_cell_length_c [8.2745]
_c... |
mp-1105494 | KCdGeAs2 | data_[K4Cd4Ge4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.2444]
_cell_length_b [8.6120... |
mp-1210797 | Li2MgGeO4 | data_[Li4Mg2Ge2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.3549]
_cell_length_b [5.5... |
mp-1227486 | BiSbS3 | data_[Bi4Sb4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8677]
_cell_length_b [3.9689]
_cell_length_c [11.2056]
_c... |
mp-1227473 | Ca2La2MgTi3O12 | data_[Ca2La2Mg1Ti3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-1189938 | Ho3Ru | data_[Ho12Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2910]
_cell_length_b [9.1338]
_cell_length_c [6.2491]
_cell_angle_alpha [90.0000]
_cell_... |
mp-5436 | FeCo2Si | data_[Fe4Co8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6243]
_cell_length_b [5.6243]
_cell_length_c [5.6243]
_c... |
mp-1071811 | DyCdNi4 | data_[Dy4Cd4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0193]
_cell_length_b [7.0193]
_cell_length_c [7.0193]
_... |
mp-20856 | Eu(FeP3)4 | data_[Eu2Fe8P24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.8103]
_cell_length_b [7.8103]
_cell_length_c [7.8103]
_cel... |
mp-684983 | Ba3LaIn(WO6)2 | data_[Ba9La3In3W6O36]
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
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a ... |
mp-22323 | In2O3 | data_[In12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.5856]
_cell_length_b [5.5856]
_cell_length_c [14.7482]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217772 | SrSmCoO4 | data_[Sr4Sm4Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3748]
_cell_length_b [12.4... |
mp-2076 | ZrSe2 | data_[Zr1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8047]
_cell_length_b [3.8047]
_cell_length_c [6.6869]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104655 | Tm3Ga8Rh3 | data_[Tm6Ga16Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1831]
_cell_length_b [9.9100]
_cell_length_c [12.1842]
_... |
mp-755714 | SrEuO2 | data_[Sr3Eu3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6364]
_cell_length_b [3.6364]
_cell_length_c [17.8989]
_cel... |
mp-8262 | K2P3 | data_[K16P24]
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
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.6980]
_cell_length_b [9.4584]
_cell_length_c [14.4298]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-864949 | MnGaRh2 | data_[Mn4Ga4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0707]
_cell_length_b [6.0707]
_cell_length_c [6.0707]
_c... |
mp-1219627 | RbAs4(HO4)3 | data_[Rb1As4H3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2694]
_cell_length_b [7.2503]
... |
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