Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1114409 | KRb2ScBr6 | data_[K4Rb8Sc4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5964]
_cell_length_b [11... |
mp-1039409 | CaMg3 | data_[Ca2Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4753]
_cell_length_b [5.4753]
_cell_length_c [6.9833]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206933 | Dy2GaNi2 | data_[Dy4Ga2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2139]
_cell_length_b [5.3657]
_cell_length_c [8.2935]
_ce... |
mp-976138 | PrDy3 | data_[Pr1Dy3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0716]
_cell_length_b [5.0716]
_cell_length_c [5.0716]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105845 | LuCuS2 | data_[Lu4Cu4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [3.9320]
_cell_length_b [6.1962]
_cell_length_c [13.1821... |
mp-755720 | Li4Fe(TeO4)3 | data_[Li4Fe1Te3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.0484]
_cell_length_b [8.6384... |
mp-2338 | TbZn2 | data_[Tb4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.4923]
_cell_length_b [7.1747]
_cell_length_c [7.5821]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20776 | U(CoGe)2 | data_[U2Co4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0418]
_cell_length_b [4.0418]
_cell_length_c [9.5720]
_ce... |
mp-11706 | Ho2HgO4 | data_[Ho8Hg4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6561]
_cell_length_b [3.6169]
_cell_length_c [10.1182]
_c... |
mp-1225677 | CuAu | data_[Cu3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8861]
_cell_length_b [2.8861]
_cell_length_c [12.7685]
_cell_angle_alpha [90.0000]
_cell_... |
mp-568570 | CsSnI3 | data_[Cs4Sn4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7332]
_cell_length_b [12.6631]
_cell_length_c [8.8722]
_ce... |
mp-1223532 | KLaCO4 | data_[K2La2C2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.6861]
_cell_length_b [4.7606]
_... |
mp-1184299 | Ga2NiRu | data_[Ga8Ni4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9639]
_cell_length_b [5.9639]
_cell_length_c [5.9639]
_c... |
mp-1077928 | Tm2Mo2C3 | data_[Tm4Mo4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2836]
_cell_length_b [3.3621]
_cell_length_c [5.6488]
_cel... |
mp-20155 | CoSn2 | data_[Co4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.3798]
_cell_length_b [6.3798]
_cell_length_c [5.4709]
_cell_angle_alpha [90.0000]
_cell... |
mp-867138 | EuSnAu2 | data_[Eu4Sn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2097]
_cell_length_b [7.2097]
_cell_length_c [7.2097]
_c... |
mp-4964 | YSbPt | data_[Y4Sb4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6259]
_cell_length_b [6.6259]
_cell_length_c [6.6259]
_cel... |
mp-571566 | Li2ZnSi | data_[Li8Zn4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2333]
_cell_length_b [4.2333]
_cell_length_c [16.2778]
_... |
mp-1112169 | KInI3 | data_[K8In8I24]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3323]
_cell_length_b [12.3323]
_cell_length_c [12.3323]
_c... |
mp-1220010 | PrGa3Ni | data_[Pr2Ga6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1840]
_cell_length_b [4.1840]
_cell_length_c [10.5193]
_... |
mp-1018641 | Tm3AlN | data_[Tm3Al1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6852]
_cell_length_b [4.6852]
_cell_length_c [4.6852]
_cel... |
mp-19819 | GdIn | data_[Gd1In1]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8853]
_cell_length_b [3.8853]
_cell_length_c [3.6064]
_cell_angle_alpha [90.0000]
_cell... |
mp-1221643 | MnCdS2 | data_[Mn1Cd1S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0995]
_cell_length_b [4.0995]
_cell_length_c [6.6442]
_cell... |
mp-2459 | YbIn | data_[Yb1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8306]
_cell_length_b [3.8306]
_cell_length_c [3.8306]
_cell_angle_alpha [90.0000]
_cell_... |
mp-4908 | Y(CoGe)2 | data_[Y2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9644]
_cell_length_b [3.9644]
_cell_length_c [10.1460]
_c... |
mp-1094594 | LiMg | data_[Li6Mg6]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0786]
_cell_length_b [9.1709]
_cell_length_c [5.3645]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1013643 | Sr3BiP | data_[Sr3Bi1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Bi 2.0200 1.6000 1.0350
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7767]
_cell_length_b [5.7767]
_cell_length_c [5.7767]
_cel... |
mp-17578 | Yb4Ge6Ir7 | data_[Yb8Ge12Ir14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.3459]
_cell_length_b [8.3459]
_cell_length_c [8.3459]
... |
mp-24075 | Ho(HO)3 | data_[Ho2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [6.3222]
_cell_length_b [6.3222]
_cell_length_c [3.5255]
_cell... |
mp-1216135 | Y4ZrSi3 | data_[Y8Zr2Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.3690]
_cell_length_b [8.3690]
_cell_length_c [6.2005]
_cel... |
mp-557522 | PCl2OF | data_[P4Cl8O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.0314]
_cell_length_b [5.7609... |
mp-756967 | Li2CrO4 | data_[Li4Cr2O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.6592]
_cell_length_b [5.3615]
_cell_length_c [5.0682]
_ce... |
mp-19820 | TmPb3 | data_[Tm1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8791]
_cell_length_b [4.8791]
_cell_length_c [4.8791]
_cell_angle_alpha [90.0000]
_cell_... |
mp-675124 | In4SnS8 | data_[In12Sn3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6784]
_cell_length_b [7.6784]
_cell_length_c [18.7501]
_ce... |
mp-22234 | Eu2C(NO)2 | data_[Eu2C1N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8621]
_cell_length_b [3.8621]
... |
mp-865989 | Al2IrRu | data_[Al8Ir4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0193]
_cell_length_b [6.0193]
_cell_length_c [6.0193]
_c... |
mp-9756 | ThGeO4 | data_[Th4Ge4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.1911]
_cell_length_b [5.1911]
_cell_length_c [11.6127]
_... |
mp-1112588 | Cs2MnHgF6 | data_[Cs8Mn4Hg4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0376]
_cell_length_b [9.0... |
mp-1516994 | Sr2NdSbO6 | data_[Sr8Nd4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5732]
_cell_length_b [8.5... |
mp-1111250 | K2LiPrI6 | data_[K8Li4Pr4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1486]
_cell_length_b [12.1... |
mp-8081 | Na2SnF6 | data_[Na4Sn2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.1570]
_cell_length_b [5.1570]
_cell_length_c [10.2803]... |
mp-569264 | NdIr5 | data_[Nd1Ir5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3599]
_cell_length_b [5.3599]
_cell_length_c [4.3289]
_cell_angle_alpha [90.0000]
_cell... |
mp-3427 | LiAlO2 | data_[Li4Al4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [5.2301]
_cell_length_b [5.2301]
_cell_length_c [6.3267]
_... |
mp-1208432 | Ta3MnS6 | data_[Ta6Mn2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.7398]
_cell_length_b [5.7398]
_cell_length_c [11.9423]
_... |
mp-1112899 | Cs2ScHgI6 | data_[Cs8Sc4Hg4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2908]
_cell_length_b [12... |
mp-862262 | LaCdHg2 | data_[La4Cd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4652]
_cell_length_b [7.4652]
_cell_length_c [7.4652]
_c... |
mp-676561 | Ag3SI | data_[Ag9S3I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.1316]
_cell_length_b [7.1316]
_cell_length_c [8.5049]
_cell_an... |
mp-505282 | CeGeRh | data_[Ce4Ge4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0589]
_cell_length_b [4.4105]
_cell_length_c [7.6269]
_ce... |
mp-568476 | BiPd2Pb | data_[Bi8Pd16Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.8814]
_cell_length_b [7.3190]
_cell_length_c [10.7324]... |
mp-1205853 | Nd2InAu2 | data_[Nd4In2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1816]
_cell_length_b [8.1816]
_cell_length_c [3.8543]
_... |
mp-24816 | K2Cr2Cd(H2O5)2 | data_[K2Cr2Cd1H4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
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 [6... |
mp-1218256 | SrIn3Hg | data_[Sr2In6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.8368]
_cell_length_b [4.8368]
_cell_length_c [12.5231]
_c... |
mp-1078278 | CrB4 | data_[Cr2B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.7267]
_cell_length_b [5.4799]
_cell_length_c [2.8537]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-998428 | CsCaI3 | data_[Cs4Ca4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.8021]
_cell_length_b [4.7639]
_cell_length_c [18.1188]
_c... |
mp-866046 | Ti3In | data_[Ti6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9270]
_cell_length_b [5.9270]
_cell_length_c [4.7910]
_cell_angle_alpha [90.0000]
_ce... |
mp-1218107 | SrPrCoRuO6 | data_[Sr2Pr2Co2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-1030274 | Te3Mo2S | data_[Te6Mo4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4518]
_cell_length_b [3.4518]
_cell_length_c [39.5533]
_cel... |
mp-14190 | NdPO4 | data_[Nd3P3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [7.1674]
_cell_length_b [7.1674]
_cell_length_c [6.4019]
_cel... |
mp-1103958 | GdIr3 | data_[Gd9Ir27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3404]
_cell_length_b [5.3404]
_cell_length_c [26.3391]
_cell_angle_alpha [90.0000]
_cell... |
mp-31154 | Ca5Hg3 | data_[Ca20Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.2481]
_cell_length_b [8.2481]
_cell_length_c [14.8281]
_cell_angle_alpha [90.0000]
_c... |
mp-754192 | Tm2TiO5 | data_[Tm8Ti4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0534]
_cell_length_b [10.8803]
_cell_length_c [10.4251]
_c... |
mp-1226056 | Co5CuS8 | data_[Co20Cu4S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.3866]
_cell_length_b [9.3866]
_cell_length_c [9.3866]
_c... |
mp-1103607 | BiPtSe | data_[Bi4Pt4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.5542]
_cell_length_b [6.5542]
_cell_length_c [6.5542]
_c... |
mvc-10314 | CaHo(FeO3)2 | data_[Ca2Ho2Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6375]
_cell_length_b [5.... |
mp-866047 | NaEuTl2 | data_[Na4Eu4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8389]
_cell_length_b [7.8389]
_cell_length_c [7.8389]
_c... |
mp-570931 | SrLi3MnN3 | data_[Sr6Li18Mn6N18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.8692]
_cell_length_b [5.86... |
mp-1188177 | H2 | data_[H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.9551]
_cell_length_b [5.4774]
_cell_length_c [4.6973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
mp-1186243 | PmNd3 | data_[Pm1Nd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2065]
_cell_length_b [5.2065]
_cell_length_c [5.2065]
_cell_angle_alpha [90.0000]
_cell_... |
mp-733 | GeO2 | data_[Ge3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [5.0884]
_cell_length_b [5.0884]
_cell_length_c [5.7596]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1112451 | K2AgSbBr6 | data_[K8Ag4Sb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2574]
_cell_length_b [11... |
mp-1206040 | Nd2Ge6Pd | data_[Nd4Ge12Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1861]
_cell_length_b [4.1235]
_cell_length_c [22.4178]
_... |
mp-560671 | Rb2NaVF6 | data_[Rb8Na4V4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6319]
_cell_length_b [8.631... |
mp-1113304 | Cs2HgBiF6 | data_[Cs8Hg4Bi4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7933]
_cell_length_b [9.7... |
mp-1221749 | Mn3FeP4 | data_[Mn3Fe1P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1615]
_cell_length_b [3.1326]
_cell_length_c [5.8108]
_cell_a... |
mp-755764 | Na2NiO3 | data_[Na8Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2410]
_cell_length_b [9.0786]
_cell_length_c [5.6208]
_cel... |
mp-864760 | HoCdPd2 | data_[Ho4Cd4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7735]
_cell_length_b [6.7735]
_cell_length_c [6.7735]
_c... |
mp-1209047 | RbSrCl3 | data_[Rb1Sr1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6963]
_cell_length_b [5.6963]
_cell_length_c [5.6963]
_c... |
mp-31380 | SmPd | data_[Sm4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8052]
_cell_length_b [10.7958]
_cell_length_c [4.6464]
_cell_angle_alpha [90.0000]
_cell_... |
mp-603 | Be2Ag | data_[Be16Ag8]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.4198]
_cell_length_b [6.4198]
_cell_length_c [6.4198]
_cell_angle_alpha [90.0000]
_cell... |
mp-1079276 | LiAsSe2 | data_[Li2As2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7036]
_cell_length_b [5.4833]
_cell_length_c [5.8310]
_... |
mp-1224619 | GdAlSi | data_[Gd4Al4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.1501]
_cell_length_b [4.1501]
_cell_length_c [14.4922]
... |
mp-30737 | YMgAg | data_[Y3Mg3Ag3]
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
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7673]
_cell_length_b [7.7673]
_cell_length_c [4.1036]
_cel... |
mp-1105701 | Hf3Fe2Si3 | data_[Hf12Fe8Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8538]
_cell_length_b [9.9116]
_cell_length_c [12.8568]
... |
mp-1217565 | TbAlCo4 | data_[Tb2Al2Co8]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9040]
_cell_length_b [8.5966]
_cell_length_c [4.0103]
_ce... |
mp-1102536 | AlCuBr4 | data_[Al2Cu2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-42c]
_cell_length_a [5.7943]
_cell_length_b [5.7943]
_cell_length_c [10.7202]
_... |
mp-9370 | RbLuS2 | data_[Rb3Lu3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Lu 1.2700 1.7500 1.0010
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9973]
_cell_length_b [3.9973]
_cell_length_c [22.9888]
_cel... |
mp-1111656 | K2LiYBr6 | data_[K8Li4Y4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0272]
_cell_length_b [11.0... |
mp-1205722 | KCaI3 | data_[K4Ca4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6370]
_cell_length_b [15.4637]
_cell_length_c [11.7501]
_cel... |
mp-558748 | Sc2O3 | data_[Sc12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3935]
_cell_length_b [3.2143]
_cell_length_c [8.0509]
_cell_angle_alpha [90.0000]
_cell_... |
mp-999305 | PrRh | data_[Pr4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9745]
_cell_length_b [11.0581]
_cell_length_c [4.3083]
_cell_angle_alpha [90.0000]
_cell_... |
mp-570763 | VCl4 | data_[V4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [13.4684]
_cell_length_b [6.5986]
_cell_length_c [12.8645]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1246786 | DyMg2Cr3S8 | data_[Dy3Mg6Cr9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3687]
_cell_length_b [7.36... |
mp-1214660 | Ba4Nd(IrO4)3 | data_[Ba8Nd2Ir6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4042]
_cell_length_b [5.9... |
mp-1094792 | Mg3Zr | data_[Mg3Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4603]
_cell_length_b [4.4603]
_cell_length_c [4.4603]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2850 | B2Os | data_[B4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [2.8873]
_cell_length_b [4.7092]
_cell_length_c [4.0912]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-22885 | XeF2 | data_[Xe2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Xe 2.6000 2.16 0.6200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4837]
_cell_length_b [4.4837]
_cell_length_c [7.2248]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1216543 | Tl3V(SeS)2 | data_[Tl12V4Se8S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [10.9929]
_cell_length_b [11.07... |
mp-972984 | HoErAl2 | data_[Ho4Er4Al8]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1398]
_cell_length_b [7.1398]
_cell_length_c [7.1398]
_c... |
mp-1188696 | Ho2Al3Ge4 | data_[Ho8Al12Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.0173]
_cell_length_b [14.8350]
_cell_length_c [7.8825]
... |
mp-1104579 | Ce2H5 | data_[Ce8H20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.4325]
_cell_length_b [5.4325]
_cell_length_c [10.9895]
_cell_angle_alpha [90.0000]
_ce... |
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