Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1215816 | Zn2InCuSe4 | data_[Zn4In2Cu2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.8042]
_cell_length_b [5.... |
mp-1185457 | Lu2CoCu | data_[Lu8Co4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6467]
_cell_length_b [6.6467]
_cell_length_c [6.6467]
_c... |
mp-6716 | Ba4Zr(RuO4)3 | data_[Ba12Zr3Ru9O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8854]
_cell_length_b [5.8... |
mp-10532 | Yb2AlSi2 | data_[Yb4Al2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8230]
_cell_length_b [6.8230]
_cell_length_c [4.5869]
_... |
mp-1096943 | CuBrO2 | data_[Cu3Br3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1980]
_cell_length_b [3.1980]
_cell_length_c [17.8261]
_cel... |
mp-754399 | Na4CuO3 | data_[Na16Cu4O12]
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 [Cc]
_cell_length_a [11.2506]
_cell_length_b [5.7277]
_cell_length_c [8.1221]
_cel... |
mp-13947 | Rb2HfF6 | data_[Rb2Hf1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2234]
_cell_length_b [6.2234]
_cell_length_c [4.9258]
_cel... |
mp-862941 | PmMgRh2 | data_[Pm4Mg4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6864]
_cell_length_b [6.6864]
_cell_length_c [6.6864]
_c... |
mp-2857 | ScN | data_[Sc4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.5183]
_cell_length_b [4.5183]
_cell_length_c [4.5183]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-31059 | Ba(AlGe)2 | data_[Ba2Al4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2651]
_cell_length_b [4.2651]
_cell_length_c [13.2465]
... |
mp-1213642 | CsSrCl3 | data_[Cs1Sr1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
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 [5.7294]
_cell_length_b [5.7294]
_cell_length_c [5.7294]
_c... |
mp-1215179 | ZrTiCr4 | data_[Zr4Ti4Cr16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0155]
_cell_length_b [7.0155]
_cell_length_c [7.0155]
_... |
mp-1225545 | ErCuNi | data_[Er4Cu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.0712]
_cell_length_b [5.2119]
_cell_length_c [7.2140]
_ce... |
mp-1025136 | EuAl3Cu2 | data_[Eu1Al3Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4279]
_cell_length_b [5.4279]
_cell_length_c [4.1157]
_... |
mp-754840 | TaAsO4 | data_[Ta2As2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.1272]
_cell_length_b [5.5781]
_cell_length_c [5.7133]
_cell_a... |
mp-30723 | Th2Hg | data_[Th8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8054]
_cell_length_b [7.8054]
_cell_length_c [5.8811]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206564 | SmRe2SiC | data_[Sm4Re8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0009]
_cell_length_b [10.92... |
mp-1183837 | Co3Ni | data_[Co6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9856]
_cell_length_b [4.9856]
_cell_length_c [4.0277]
_cell_angle_alpha [90.0000]
_ce... |
mp-574448 | RbGd2CuSe4 | data_[Rb4Gd8Cu4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1818]
_cell_length_b [14... |
mp-1068364 | CeSi3Os | data_[Ce2Si6Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2131]
_cell_length_b [4.2131]
_cell_length_c [9.9971]
_ce... |
mp-542568 | EuAg5 | data_[Eu1Ag5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.7271]
_cell_length_b [5.7271]
_cell_length_c [4.6967]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184065 | Dy3Ho | data_[Dy3Ho1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9978]
_cell_length_b [4.9978]
_cell_length_c [4.9978]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1120752 | K2Fe4O7 | data_[K2Fe4O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.3084]
_cell_length_b [5.3084]
_cell_length_c [6.9852]
_cell_... |
mp-557728 | KCu4AsS4 | data_[K2Cu8As2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.5850]
_cell_length_b [6.4186]... |
mp-755217 | Cs2BaO2 | data_[Cs8Ba4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [11.5045]
_cell_length_b [7.0511]
_cell_length_c [7.3571]
_cel... |
mp-555186 | Li2ZnSnS4 | data_[Li4Zn2Sn2S8]
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
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.4592]
_cell_length_b [6.7970]... |
mp-1102117 | YbAlPt | data_[Yb4Al4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1672]
_cell_length_b [4.2106]
_cell_length_c [7.8693]
_ce... |
mp-20355 | Ce2CoSi3 | data_[Ce4Co2Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.0383]
_cell_length_b [8.0383]
_cell_length_c [4.1065]
_... |
mp-1218358 | SrCaTi2O6 | data_[Sr2Ca2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [7.8139]
_cell_length_b [5.... |
mp-33746 | SrCO3 | data_[Sr4C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0328]
_cell_length_b [5.1944]
_cell_length_c [8.3704]
_cell_... |
mp-6616 | Ba2HoCu3O7 | data_[Ba2Ho1Cu3O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8367]
_cell_length_b [3.919... |
mp-23339 | NaBrO3 | data_[Na4Br4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.8200]
_cell_length_b [6.8200]
_cell_length_c [6.8200]
_ce... |
mp-1103581 | UCo4B | data_[U2Co8B2]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8775]
_cell_length_b [4.8775]
_cell_length_c [6.9003]
_cell... |
mp-754508 | MgFeO3 | data_[Mg6Fe6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.0975]
_cell_length_b [5.0975]
_cell_length_c [13.9619]
_cel... |
mp-505489 | Sc7BCl12 | data_[Sc21B3Cl36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1854]
_cell_length_b [13.1854]
_cell_length_c [8.9550]
_c... |
mp-753594 | BiOF | data_[Bi2O2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0142]
_cell_length_b [4.0142]
_cell_length_c [5.8066]
_cell... |
mp-13137 | Hf2CS | data_[Hf4C2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3801]
_cell_length_b [3.3801]
_cell_length_c [12.0704]
_c... |
mp-20440 | MnNi2Sn | data_[Mn4Ni8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
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 [6.0495]
_cell_length_b [6.0495]
_cell_length_c [6.0495]
_c... |
mp-1224925 | GaNi4Ge3 | data_[Ga2Ni8Ge6]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6289]
_cell_length_b [3.8194]
_cell_length_c [4.8896]
_cel... |
mp-1218178 | SrLaNiO4 | data_[Sr4La4Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4438]
_cell_length_b [12.5... |
mp-1183314 | Ba3Ca | data_[Ba3Ca1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.1918]
_cell_length_b [6.1918]
_cell_length_c [6.1918]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104630 | RbV5S8 | data_[Rb2V10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7979]
_cell_length_b [3.2923]
_cell_length_c [8.5459]
_cel... |
mp-1220968 | NaNd2Se3 | data_[Na2Nd4Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2282]
_cell_length_b [5.9945]
_cell_length_c [12.8014]
_c... |
mp-1114431 | Rb2LiTbCl6 | data_[Rb8Li4Tb4Cl24]
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
Tb 1.1000 1.7500 0.9815
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5024]
_cell_length_b [... |
mp-1184812 | InSn3 | data_[In2Sn6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7342]
_cell_length_b [6.7342]
_cell_length_c [5.6061]
_cell_angle_alpha [90.0000]
_ce... |
mp-568902 | Yb(CoGe)2 | data_[Yb2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
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 [3.9521]
_cell_length_b [3.9521]
_cell_length_c [10.2639]
... |
mp-8424 | Li8PrO6 | data_[Li24Pr3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.7266]
_cell_length_b [5.7266]
_cell_length_c [16.8479]
_ce... |
mp-1106011 | Nd3Co | data_[Nd12Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0927]
_cell_length_b [9.8752]
_cell_length_c [6.4024]
_cell_angle_alpha [90.0000]
_cell_... |
mp-10862 | Ho2Ge6Pd | data_[Ho4Ge12Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0960]
_cell_length_b [4.0288]
_cell_length_c [22.0167]
_... |
mp-582826 | GdRuC2 | data_[Gd4Ru4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3766]
_cell_length_b [9.3054]
_cell_length_c [5.2503]
_cell... |
mp-989562 | Cs2LiTlF6 | data_[Cs8Li4Tl4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9317]
_cell_length_b [8.9... |
mp-31452 | ZrNiBi | data_[Zr4Ni4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2919]
_cell_length_b [6.2919]
_cell_length_c [6.2919]
_c... |
mp-1212708 | Gd2NiPtO6 | data_[Gd4Ni2Pt2O12]
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
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3966]
_cell_length_b [5.... |
mp-997029 | TlCuO2 | data_[Tl2Cu2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5370]
_cell_length_b [3.5370]
_cell_length_c [11.7717]
... |
mp-1174282 | Li6Mn3CoO10 | data_[Li12Mn6Co2O20]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8088]
_cell_length_b [2.878... |
mp-20881 | LaNiBN | data_[La2Ni2B2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7795]
_cell_length_b [3.779... |
mp-1185437 | LiThHg2 | data_[Li4Th4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Th 1.3000 1.8000 1.0800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3234]
_cell_length_b [7.3234]
_cell_length_c [7.3234]
_c... |
mp-10878 | Ca(MnAl2)4 | data_[Ca2Mn8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7704]
_cell_length_b [8.7704]
_cell_length_c [5.1831]
... |
mp-20255 | TiCuSi | data_[Ti4Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2161]
_cell_length_b [3.7254]
_cell_length_c [7.1736]
_ce... |
mp-753645 | Li4Mn3(FeO5)2 | data_[Li4Mn3Fe2O10]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1483]
_cell_length_b [5.2208... |
mp-21104 | Hf5Sn3 | data_[Hf10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4658]
_cell_length_b [8.4658]
_cell_length_c [5.7162]
_cell_angle_alpha [90.0000]
_c... |
mp-764736 | V4O5F7 | data_[V4O5F7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1584]
_cell_length_b [5.3646]
_cell_length_c [9.0436]
_cell_angle... |
mp-765544 | Li4V3OF11 | data_[Li4V3O1F11]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5998]
_cell_length_b [6.2031]
_c... |
mp-30495 | SmCd2 | data_[Sm1Cd2]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0504]
_cell_length_b [5.0504]
_cell_length_c [3.4765]
_cell_angle_alpha [90.0000]
_cell... |
mp-20979 | TmMgIn | data_[Tm3Mg3In3]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4561]
_cell_length_b [7.4561]
_cell_length_c [4.6648]
_c... |
mp-1223274 | La2Bi2S4OF | data_[La2Bi2S4O1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [... |
mp-13156 | HfAg | data_[Hf2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.4452]
_cell_length_b [3.4452]
_cell_length_c [6.6576]
_cell_angle_alpha [90.0000]
_cell... |
mp-1207392 | Zr5Bi3 | data_[Zr10Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.7323]
_cell_length_b [8.7323]
_cell_length_c [5.8964]
_cell_angle_alpha [90.0000]
_c... |
mp-755194 | Er(ReO4)2 | data_[Er1Re2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.0548]
_cell_length_b [6.0548]
_cell_length_c [6.2778]
_cell_... |
mp-1106386 | BH6N | data_[B2H12N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.5118]
_cell_length_b [5.5033]
_cell_length_c [4.7014]
_cell_an... |
mp-1094274 | SrMg | data_[Sr4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3248]
_cell_length_b [3.9892]
_cell_length_c [6.0504]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1096767 | Fe11MoC4 | data_[Fe11Mo1C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5268]
_cell_length_b [5.0506]
_cell_length_c [6.8442]
_cell_... |
mp-742 | Ti2Cu | data_[Ti4Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9325]
_cell_length_b [2.9325]
_cell_length_c [10.7500]
_cell_angle_alpha [90.0000]
_cel... |
mp-29246 | Cd2P3Cl | data_[Cd8P12Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.1221]
_cell_length_b [9.1472]
_cell_length_c [7.6672]
_cell_... |
mp-1224419 | HfNbN2 | data_[Hf3Nb3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1789]
_cell_length_b [3.1789]
_cell_length_c [15.6178]
_cel... |
mp-1226470 | CeYCo4 | data_[Ce4Y4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1001]
_cell_length_b [7.1001]
_cell_length_c [7.1001]
_ce... |
mp-1104066 | TbB12 | data_[Tb4B48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5089]
_cell_length_b [7.5089]
_cell_length_c [7.5089]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-12527 | Ti2Te2P | data_[Ti6Te6P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6563]
_cell_length_b [3.6563]
_cell_length_c [29.8067]
_cel... |
mp-865257 | DyZnRh2 | data_[Dy4Zn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4677]
_cell_length_b [6.4677]
_cell_length_c [6.4677]
_c... |
mp-1225283 | DyCuTe2 | data_[Dy1Cu1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3553]
_cell_length_b [4.3553]
_cell_length_c [6.9306]
_ce... |
mp-23860 | SrHCl | data_[Sr2H2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1279]
_cell_length_b [4.1279]
_cell_length_c [7.0373]
_ce... |
mp-1103438 | Dy2(NiB2)3 | data_[Dy4Ni6B12]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6797]
_cell_length_b [8.6431]
_cell_length_c [3.4719]
_cel... |
mp-1014244 | ZrZnN2 | data_[Zr1Zn1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3113]
_cell_length_b [3.3113]
_cell_length_c [5.3368]
_cell... |
mp-13026 | YbZnPt | data_[Yb4Zn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0941]
_cell_length_b [4.1825]
_cell_length_c [7.9269]
_ce... |
mp-1185916 | MgIn2 | data_[Mg4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2339]
_cell_length_b [16.8756]
_cell_length_c [5.5913]
_cell_angle_alpha [90.0000]
_cell_... |
mp-961673 | TiFeTe | data_[Ti4Fe4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8834]
_cell_length_b [5.8834]
_cell_length_c [5.8834]
_c... |
mp-505727 | NClO | data_[N4Cl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.5273]
_cell_length_b [5.4946]
_cell_length_c [4.2350]
_cell_... |
mp-1188515 | Ca2InOsO6 | data_[Ca4In2Os2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5434]
_cell_length_b [5.... |
mp-1178496 | Bi6O5F8 | data_[Bi6O5F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1260]
_cell_length_b [5.8376]
_cell_length_c [12.4664]
_cell_an... |
mp-9564 | Ca(MgAs)2 | data_[Ca1Mg2As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3813]
_cell_length_b [4.3813]
_cell_length_c [7.1506]
_c... |
mp-1189914 | ZnSi(AgS2)2 | data_[Zn2Si2Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.4666]
_cell_length_b [6.6227]... |
mp-1217474 | TbTh | data_[Tb3Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5542]
_cell_length_b [3.5542]
_cell_length_c [17.4805]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753408 | KLiCoO2 | data_[K4Li4Co4O8]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9074]
_cell_length_b [3.3888... |
mp-1581 | As2O3 | data_[As8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3098]
_cell_length_b [4.6854]
_cell_length_c [11.6982]
_cell_angle_alpha [90.0000]
_cell... |
mp-3218 | Er(SiPd)2 | data_[Er2Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1329]
_cell_length_b [4.1329]
_cell_length_c [9.9773]
_... |
mp-866060 | CaPrAg2 | data_[Ca4Pr4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4916]
_cell_length_b [7.4916]
_cell_length_c [7.4916]
_c... |
mp-14395 | NaAlAsO4F | data_[Na4Al4As4O16F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a... |
mp-1228566 | Ba2PrIrO6 | data_[Ba4Pr2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1059]
_cell_length_b [6.... |
mp-4829 | Na2ThF6 | data_[Na2Th1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Th 1.3000 1.8000 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [6.0784]
_cell_length_b [6.0784]
_cell_length_c [3.8690]
_cell... |
mp-867851 | Rb2TlAu3 | data_[Rb4Tl2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.8273]
_cell_length_b [6.9719]
_cell_length_c [9.2923]
_ce... |
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