Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-865187 | MgFeRh2 | data_[Mg4Fe4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1124]
_cell_length_b [6.1124]
_cell_length_c [6.1124]
_c... |
mp-28051 | SbTeI | data_[Sb4Te4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7983]
_cell_length_b [4.3002]
_cell_length_c [9.7572]
_cel... |
mp-19861 | LaCrSb3 | data_[La4Cr4Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.4250]
_cell_length_b [6.2723]
_cell_length_c [6.1637]
_... |
mp-1227656 | Bi3Te5Pb | data_[Bi3Te5Pb1]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6267]
_cell_length_b [4.6267]
_cell_length_c [17.1372]
_c... |
mp-1187461 | Ti2VOs | data_[Ti8V4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2356]
_cell_length_b [6.2356]
_cell_length_c [6.2356]
_cel... |
mvc-9286 | CaPr(BiO3)2 | data_[Ca2Pr2Bi4O12]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.6535]
_cell_length_b [6.... |
mp-1218600 | Sr2YCr(CuO4)2 | data_[Sr4Y2Cr2Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a... |
mp-1273062 | Co(HO)2 | data_[Co2H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5913]
_cell_length_b [3.1964]
_cell_length_c [4.8042]
_cell_a... |
mp-865669 | TiSiTc2 | data_[Ti4Si4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0757]
_cell_length_b [6.0757]
_cell_length_c [6.0757]
_c... |
mp-1227363 | CaAl2F10 | data_[Ca2Al4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.9984]
_cell_length_b [6.5046]
_cell_length_c [7.2642]
_cell_... |
mp-28145 | Rb2PdCl6 | data_[Rb8Pd4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.1814]
_cell_length_b [10.1814]
_cell_length_c [10.1814... |
mp-20076 | KCrF6 | data_[K3Cr3F18]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.5541]
_cell_length_b [7.5541]
_cell_length_c [7.3713]
_cell_a... |
mp-1187553 | Tl3Sn | data_[Tl6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0446]
_cell_length_b [7.0446]
_cell_length_c [5.6733]
_cell_angle_alpha [90.0000]
_ce... |
mp-27913 | CoHO2 | data_[Co3H3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8827]
_cell_length_b [2.8827]
_cell_length_c [13.0397]
_cell_... |
mp-1245706 | MnNiN2 | data_[Mn2Ni2N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.6204]
_cell_length_b [2.6204]
_cell_length_c [11.9848]
... |
mp-675524 | CsPbCl3 | data_[Cs4Pb4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.7637]
_cell_length_b [11.4309]
_cell_length_c [11.4386]
... |
mp-22395 | KCeSe4 | data_[K2Ce2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.3777]
_cell_length_b [6.3777]
_cell_length_c [8.4598]
_ce... |
mp-1112079 | K2YAgBr6 | data_[K8Y4Ag4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2788]
_cell_length_b [11.2... |
mp-1025116 | TmCu4Ag | data_[Tm4Cu16Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0904]
_cell_length_b [7.0904]
_cell_length_c [7.0904]
_... |
mp-19914 | RbGdTe4 | data_[Rb2Gd2Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.8804]
_cell_length_b [6.8804]
_cell_length_c [9.2631]
_... |
mp-3499 | MnSbPd2 | data_[Mn4Sb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4790]
_cell_length_b [6.4790]
_cell_length_c [6.4790]
_c... |
mp-2560 | Ti3Hg | data_[Ti3Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1399]
_cell_length_b [4.1399]
_cell_length_c [4.1399]
_cell_angle_alpha [90.0000]
_cell_... |
mp-19410 | ZnCr2O4 | data_[Zn8Cr16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.4789]
_cell_length_b [8.4789]
_cell_length_c [8.4789]
_c... |
mp-2515 | CrPt3 | data_[Cr1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9217]
_cell_length_b [3.9217]
_cell_length_c [3.9217]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865986 | Li2CaGe | data_[Li8Ca4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6370]
_cell_length_b [6.6370]
_cell_length_c [6.6370]
_c... |
mp-22211 | V3Sn | data_[V6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6508]
_cell_length_b [5.6508]
_cell_length_c [4.5256]
_cell_angle_alpha [90.0000]
_cell... |
mp-1104519 | Tm(Ni2As)2 | data_[Tm2Ni8As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.1979]
_cell_length_b [7.1979]
_cell_length_c [3.7736]... |
mp-558317 | KNaPrNbO5 | data_[K2Na2Pr2Nb2O10]
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
Pr 1.1300 1.8500 1.0600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length... |
mp-18606 | ErGe2Ir | data_[Er8Ge16Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2513]
_cell_length_b [8.8957]
_cell_length_c [16.1380]
_... |
mp-1212877 | Eu3V2O7 | data_[Eu6V4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8742]
_cell_length_b [3.8742]
_cell_length_c [20.5262]
_ce... |
mp-624668 | BaSb2 | data_[Ba2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2392]
_cell_length_b [4.4838]
_cell_length_c [9.5272]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184684 | HfGeRu2 | data_[Hf4Ge4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2650]
_cell_length_b [6.2650]
_cell_length_c [6.2650]
_c... |
mp-1183768 | CeNdHg2 | data_[Ce4Nd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5918]
_cell_length_b [7.5918]
_cell_length_c [7.5918]
_c... |
mp-1205973 | Ba2CePuO6 | data_[Ba8Ce4Pu4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8861]
_cell_length_b [8.8... |
mp-9856 | Cs2ZrSe3 | data_[Cs8Zr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [13.4596]
_cell_length_b [9.6336]
_cell_length_c [7.2205]
_... |
mp-23041 | SbSI | data_[Sb4S4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0198]
_cell_length_b [4.1107]
_cell_length_c [10.7867]
_cell_... |
mp-1025309 | Pr(Re2Si)2 | data_[Pr2Re8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1774]
_cell_length_b [14.1040]
_cell_length_c [4.1329]
_c... |
mp-23565 | Cr4AgBiO14 | data_[Cr8Ag2Bi2O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [8.6353]
_cell_length_b [8.6353... |
mp-15794 | LiYSe2 | data_[Li3Y3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0728]
_cell_length_b [4.0728]
_cell_length_c [19.5356]
_cel... |
mp-862870 | LiTcO3 | data_[Li1Tc1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8539]
_cell_length_b [3.8539]
_cell_length_c [3.8539]
_cel... |
mp-1094732 | Ce2Mg | data_[Ce8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.7255]
_cell_length_b [3.2370]
_cell_length_c [17.2126]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1212953 | Eu2HgO4 | data_[Eu8Hg4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
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 [13.9474]
_cell_length_b [3.7768]
_cell_length_c [10.2888]
_c... |
mp-699248 | Sr2B5H2O11 | data_[Sr4B10H4O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.2766]
_cell_length_b [8.1581]
... |
mp-4856 | HoGa5Co | data_[Ho1Ga5Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2215]
_cell_length_b [4.2215]
_cell_length_c [6.8239]
_... |
mp-1227138 | CaSmCrO4 | data_[Ca4Sm4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4221]
_cell_length_b [11... |
mp-1189318 | Tm2Se3 | data_[Tm32Se48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.1547]
_cell_length_b [11.4135]
_cell_length_c [24.2423]
_cell_angle_alpha [90.0000]
_ce... |
mp-1027645 | Mo3WS8 | data_[Mo3W1S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1915]
_cell_length_b [3.1915]
_cell_length_c [35.8271]
_cell_... |
mp-1215374 | Zr4Sc5N10 | data_[Zr8Sc10N20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2179]
_cell_length_b [4.5065]
_cell_length_c [10.2043]
_... |
mp-1212057 | HoGa3Os | data_[Ho3Ga9Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4270]
_cell_length_b [6.4270]
_cell_length_c [6.4270]
_c... |
mp-1223876 | K2ThF6 | data_[K4Th2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Th 1.3000 1.8000 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2107]
_cell_length_b [6.1928]
_cell_length_c [12.6642]
_cell... |
mp-1225020 | FeCu(RhS2)4 | data_[Fe4Cu4Rh16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.7579]
_cell_length_b [9.... |
mp-1103609 | Nb4NiP | data_[Nb8Ni2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.1643]
_cell_length_b [6.1643]
_cell_length_c [4.9912]
_ce... |
mp-552024 | Li(CoO2)2 | data_[Li1Co2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P2/m]
_cell_length_a [4.8202]
_cell_length_b [2.8426]
_cell_length_c [5.1057]
_cell... |
mp-3709 | Tb(CoGe)2 | data_[Tb2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [3.9678]
_cell_length_b [3.9678]
_cell_length_c [10.1508]
... |
mp-1079126 | Eu2FeH6 | data_[Eu8Fe4H24]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2805]
_cell_length_b [7.2805]
_cell_length_c [7.2805]
_ce... |
mp-1226726 | CdAg | data_[Cd3Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0553]
_cell_length_b [3.0553]
_cell_length_c [14.6206]
_cell_angle_alpha [90.0000]
_cell_... |
mp-3849 | TlFeS2 | data_[Tl4Fe4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9687]
_cell_length_b [5.0985]
_cell_length_c [6.8442]
_cel... |
mp-973442 | Lu2AgPt | data_[Lu8Ag4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9689]
_cell_length_b [6.9689]
_cell_length_c [6.9689]
_c... |
mp-1091416 | SrCuTeF | data_[Sr2Cu2Te2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2764]
_cell_length_b [4.2... |
mp-1215321 | ZrMnFe | data_[Zr8Mn8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0581]
_cell_length_b [4.9463]
_cell_length_c [8.6535]
_ce... |
mp-1220731 | NaLaNb2O7 | data_[Na2La2Nb4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9311]
_cell_length_b [3.9... |
mp-1184282 | EuMg5 | data_[Eu1Mg5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.9832]
_cell_length_b [5.9832]
_cell_length_c [5.1355]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104838 | GdGa6 | data_[Gd2Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.0225]
_cell_length_b [6.0225]
_cell_length_c [7.6318]
_cell_angle_alpha [90.0000]
_cel... |
mp-23267 | BeCl2 | data_[Be4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.7379]
_cell_length_b [10.6320]
_cell_length_c [5.2471]
_cell_angle_alpha [90.0000]
_cell_... |
mp-771518 | Li2CrCuO4 | data_[Li8Cr4Cu4O16]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8841]
_cell_length_b [5.88... |
mp-1206370 | Mg2Sb3 | data_[Mg2Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6954]
_cell_length_b [4.6954]
_cell_length_c [7.4903]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20924 | U(FeSi)2 | data_[U2Fe4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9588]
_cell_length_b [3.9588]
_cell_length_c [9.2685]
_ce... |
mp-12729 | Ba2TmRuO6 | data_[Ba8Tm4Ru4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3881]
_cell_length_b [8.3... |
mp-1106069 | Lu5Si3C | data_[Lu10Si6C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.2400]
_cell_length_b [8.2400]
_cell_length_c [6.2361]
... |
mp-1217304 | ThMn2Co3 | data_[Th1Mn2Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1130]
_cell_length_b [5.1130]
_cell_length_c [3.9041]
_... |
mp-8719 | K2MnTe2 | data_[K8Mn4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4997]
_cell_length_b [14.3072]
_cell_length_c [7.0060]
_cel... |
mp-1214081 | Ca2ScTaO6 | data_[Ca4Sc2Ta2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5334]
_cell_length_b [5.... |
mp-1247747 | TaCr3S8 | data_[Ta3Cr9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
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 [6.9134]
_cell_length_b [6.9134]
_cell_length_c [16.4332]
_ce... |
mp-676360 | NaNdS2 | data_[Na4Nd4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.7179]
_cell_length_b [5.7179]
_cell_length_c [11.9415]
... |
mp-1102053 | CeGaPd | data_[Ce4Ga4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0814]
_cell_length_b [4.5004]
_cell_length_c [7.8390]
_ce... |
mp-1185515 | LuMg2Sc | data_[Lu4Mg8Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3345]
_cell_length_b [7.3345]
_cell_length_c [7.3345]
_c... |
mp-1078242 | YAlPd2 | data_[Y2Al2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3741]
_cell_length_b [4.3741]
_cell_length_c [9.1905]
_... |
mp-29274 | P2PdO6 | data_[P4Pd2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [12.5711]
_cell_length_b [4.7077]
_cell_length_c [4.3942]
_cell... |
mp-1228199 | Ba4Cr2MoWO12 | data_[Ba12Cr6Mo3W3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cr 1.6600 1.4000 0.9400
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_... |
mp-28782 | Na3PS4 | data_[Na6P2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42_1c]
_cell_length_a [7.0193]
_cell_length_b [7.0193]
_cell_length_c [7.1526]
_cel... |
mp-1223810 | K2NaCl3 | data_[K4Na2Cl6]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4056]
_cell_length_b [4.4056]
_cell_length_c [18.3348]
_c... |
mp-765559 | LiAgF4 | data_[Li4Ag4F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0622]
_cell_length_b [6.2948]
_cell_length_c [4.9902]
_ce... |
mp-1105598 | Y3Co | data_[Y12Co4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0158]
_cell_length_b [9.4828]
_cell_length_c [6.3144]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-995215 | CsSrSiHO4 | data_[Cs2Sr2Si2H2O8]
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
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a ... |
mp-1210028 | Nb3Pb2(O2F)4 | data_[Nb6Pb4O16F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9335]
_cell_length_b [3.93... |
mp-1225575 | ErTiFe8Co3 | data_[Er2Ti2Fe16Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7309]
_cell_length_b [8.... |
mp-17615 | Ta5Ge3 | data_[Ta20Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.1740]
_cell_length_b [10.1740]
_cell_length_c [5.1980]
_cell_angle_alpha [90.0000]
_... |
mp-30234 | Cs2WCl6 | data_[Cs8W4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5955]
_cell_length_b [10.5955]
_cell_length_c [10.5955]
... |
mp-771189 | Ba4Ti3O10 | data_[Ba16Ti12O40]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.7800]
_cell_length_b [29.3775]
_cell_length_c [5.8059]
_... |
mp-6940 | U2IrC2 | data_[U4Ir2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ir 2.2000 1.3500 0.7650
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4773]
_cell_length_b [3.4773]
_cell_length_c [12.4901]
_cel... |
mp-1019107 | PuTe2 | data_[Pu2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4065]
_cell_length_b [4.4065]
_cell_length_c [8.7419]
_cell_angle_alpha [90.0000]
_cell... |
mp-865327 | TmHg3 | data_[Tm2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.5947]
_cell_length_b [6.5947]
_cell_length_c [4.9848]
_cell_angle_alpha [90.0000]
_ce... |
mp-1217816 | TaVH4 | data_[Ta3V3H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1103]
_cell_length_b [3.1103]
_cell_length_c [15.2026]
_cell... |
mp-1190100 | Tl2Hg3Te4 | data_[Tl8Hg12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2267]
_cell_length_b [7.4964]
_cell_length_c [14.3107]... |
mp-1071720 | ScZnPd | data_[Sc4Zn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3246]
_cell_length_b [9.1606]
_cell_length_c [5.3187]
_ce... |
mp-1027304 | Te2Mo3WS6 | data_[Te2Mo3W1S6]
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
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2733]
_cell_length_b [3.2733]... |
mp-578604 | NaCrO2 | data_[Na3Cr3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0311]
_cell_length_b [3.0311]
_cell_length_c [16.1659]
_cel... |
mp-990424 | C | data_[C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.4678]
_cell_length_b [2.4678]
_cell_length_c [25.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-1024958 | ZrHCl | data_[Zr2H2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3592]
_cell_length_b [3.3592]
_cell_length_c [9.9971]
_cel... |
mp-1209253 | RbCaHfF7 | data_[Rb4Ca4Hf4F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.9405]
_cell_length_b [11.3... |
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