Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-14193 | K2ThF6 | data_[K2Th1F6]
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 [P-62m]
_cell_length_a [6.6807]
_cell_length_b [6.6807]
_cell_length_c [3.8578]
_cell_... |
mp-753486 | BaCaI4 | data_[Ba4Ca4I16]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.9750]
_cell_length_b [11.0547]
_cell_length_c [10.9867]
_c... |
mp-1215643 | ZnCu2Ge(SeS)2 | data_[Zn4Cu8Ge4Se8S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_... |
mp-1228188 | Ba4Tl13Hg3 | data_[Ba8Tl26Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6672]
_cell_length_b [5.2953]
_cell_length_c [20.1795]
_c... |
mp-18817 | NiSeO4 | data_[Ni4Se4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4757]
_cell_length_b [8.2742]
_cell_length_c [6.3778]
_cel... |
mp-20137 | Dy(GePt)2 | data_[Dy2Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3857]
_cell_length_b [4.3857]
_cell_length_c [9.8606]
_... |
mp-1206278 | NdInCu4 | data_[Nd4In4Cu16]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3543]
_cell_length_b [7.3543]
_cell_length_c [7.3543]
_... |
mp-1025348 | TlPPd5 | data_[Tl1P1Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0042]
_cell_length_b [4.0042]
_cell_length_c [7.1157]
_ce... |
mp-1226873 | Ce2B4(IrRh)3 | data_[Ce2B4Ir3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5178]
_cell_length_b [3.101... |
mp-1187926 | ZnAgPd2 | data_[Zn4Ag4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3059]
_cell_length_b [6.3059]
_cell_length_c [6.3059]
_c... |
mp-753541 | LiCuF4 | data_[Li4Cu4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.2339]
_cell_length_b [5.2339]
_cell_length_c [9.7724]
_c... |
mp-755595 | Er2TiO5 | data_[Er8Ti4O20]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0719]
_cell_length_b [10.9515]
_cell_length_c [10.4513]
_c... |
mp-1206302 | LaGaSb2 | data_[La4Ga4Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [4.4129]
_cell_length_b [23.1205]
_cell_length_c [4.4253]
... |
mp-30336 | Al4W | data_[Al24W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2797]
_cell_length_b [17.8393]
_cell_length_c [5.2444]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1080149 | Yb(CuS)2 | data_[Yb1Cu2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8898]
_cell_length_b [3.8898]
_cell_length_c [6.4228]
_cel... |
mp-1210617 | MgTlCl3 | data_[Mg4Tl4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1608]
_cell_length_b [10.1053]
_cell_length_c [7.0714]
_... |
mp-1209292 | Sc6InCo2 | data_[Sc24In4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.8387]
_cell_length_b [8.8776]
_cell_length_c [9.3309]
_c... |
mp-1218422 | Sr5CaAl2(O4F)2 | data_[Sr20Ca4Al8O32F8]
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
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_... |
mp-1023509 | Mg15Si | data_[Mg15Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3176]
_cell_length_b [6.3176]
_cell_length_c [10.2342]
_cell_angle_alpha [90.0000]
_cel... |
mp-1189210 | Tm5Sn3 | data_[Tm10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.8385]
_cell_length_b [8.8385]
_cell_length_c [6.4627]
_cell_angle_alpha [90.0000]
_c... |
mp-2726 | SrCu5 | data_[Sr1Cu5]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2807]
_cell_length_b [5.2807]
_cell_length_c [3.9972]
_cell_angle_alpha [90.0000]
_cell... |
mp-510557 | CsN3 | data_[Cs4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.6886]
_cell_length_b [6.6886]
_cell_length_c [8.1724]
_cell_angle_alpha [90.0000]
_cell_... |
mp-756131 | Sr2CaI6 | data_[Sr4Ca2I12]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.6621]
_cell_length_b [7.6621]
_cell_length_c [14.6239]... |
mp-975789 | PrTmMg2 | data_[Pr4Tm4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6608]
_cell_length_b [7.6608]
_cell_length_c [7.6608]
_c... |
mp-15206 | Ho2Si5Ni3 | data_[Ho8Si20Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.5710]
_cell_length_b [11.0969]
_cell_length_c [5.6340]
... |
mp-1216865 | TiCrN2 | data_[Ti3Cr3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0054]
_cell_length_b [3.0054]
_cell_length_c [14.1666]
_cel... |
mp-7541 | SnP3 | data_[Sn6P18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4928]
_cell_length_b [7.4928]
_cell_length_c [10.7013]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1205921 | CeSiOs2C | data_[Ce4Si4Os8C4]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9557]
_cell_length_b [11.17... |
mp-21305 | GdNi5 | data_[Gd1Ni5]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8810]
_cell_length_b [4.8810]
_cell_length_c [3.9461]
_cell_angle_alpha [90.0000]
_cell... |
mp-21500 | Yb2InCu2 | data_[Yb4In2Cu4]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5149]
_cell_length_b [7.5149]
_cell_length_c [3.7379]
_... |
mp-756312 | Li4MgNi3O8 | data_[Li12Mg3Ni9O24]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7802]
_cell_length_b [5.7... |
mp-1219701 | PuUC3 | data_[Pu8U8C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
U 1.3800 1.7500 0.9913
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.0727]
_cell_length_b [8.0727]
_cell_length_c [8.0727]
_cell... |
mp-1222521 | LuUTe6 | data_[Lu2U2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3524]
_cell_length_b [4.3428]
_cell_length_c [25.4633]
_ce... |
mp-1187580 | TmCo2Sn | data_[Tm4Co8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3800]
_cell_length_b [6.3800]
_cell_length_c [6.3800]
_c... |
mp-9122 | CaP3 | data_[Ca2P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6095]
_cell_length_b [5.6390]
_cell_length_c [5.6946]
_cell_angle_alpha [70.0761]
_cell_angl... |
mp-1218686 | Sr2TiMnO6 | data_[Sr8Ti4Mn4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7865]
_cell_length_b [7.7... |
mp-1188017 | ZrScTc2 | data_[Zr4Sc4Tc8]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5458]
_cell_length_b [6.5458]
_cell_length_c [6.5458]
_c... |
mp-978507 | SmTh3 | data_[Sm1Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0540]
_cell_length_b [5.0540]
_cell_length_c [5.0540]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1106137 | Eu7Au3 | data_[Eu14Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.8296]
_cell_length_b [10.8296]
_cell_length_c [6.8110]
_cell_angle_alpha [90.0000]
_c... |
mp-1094194 | MgZn5 | data_[Mg3Zn15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [4.7185]
_cell_length_b [4.7185]
_cell_length_c [15.0334]
_cell_angle_alpha [90.0000]
_cell_... |
mp-643013 | ZrP2(HO3)2 | data_[Zr1P2H2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.5171]
_cell_length_b [5.5171]
_c... |
mp-1186155 | NaCeHg2 | data_[Na4Ce4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5677]
_cell_length_b [7.5677]
_cell_length_c [7.5677]
_c... |
mp-1147553 | KCuIO6 | data_[K1Cu1I1O6]
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
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1545]
_cell_length_b [5.1545]
_... |
mp-756334 | K2Sr2O3 | data_[K4Sr4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1610]
_cell_length_b [7.1599]
_cell_length_c [7.1323]
_cell... |
mp-1519895 | CaEuTiNbO6 | data_[Ca4Eu4Ti4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Eu 1.2000 1.8500 1.1985
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-38327 | Ca(TbS2)2 | data_[Ca4Tb8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.3960]
_cell_length_b [8.3960]
_cell_length_c [8.4124]
_ce... |
mp-989403 | LaVN3 | data_[La2V2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6296]
_cell_length_b [6.0249]
_cell_length_c [6.3288]
_cell_ang... |
mp-871 | FeSi | data_[Fe4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [4.4482]
_cell_length_b [4.4482]
_cell_length_c [4.4482]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20928 | Sb2Ru | data_[Sb4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.0268]
_cell_length_b [6.7431]
_cell_length_c [3.2228]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-16645 | SmMgPt | data_[Sm3Mg3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5006]
_cell_length_b [7.5006]
_cell_length_c [4.1272]
_c... |
mp-972884 | Sc2AlCu | data_[Sc8Al4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6806]
_cell_length_b [6.6806]
_cell_length_c [6.6806]
_c... |
mp-1222764 | LaTaTiO6 | data_[La4Ta4Ti4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.3142]
_cell_length_b [8.914... |
mp-1174170 | Li4Mn3CoO8 | data_[Li4Mn3Co1O8]
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 [P2/m]
_cell_length_a [5.0912]
_cell_length_b [3.078... |
mp-867907 | PuSi3 | data_[Pu2Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8844]
_cell_length_b [5.8844]
_cell_length_c [4.4303]
_cell_angle_alpha [90.0000]
_ce... |
mp-1211414 | LaTiS3 | data_[La4Ti4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0584]
_cell_length_b [3.7799]
_cell_length_c [13.2486]
_ce... |
mp-1173305 | ScPaO4 | data_[Sc4Pa4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.2435]
_cell_length_b [5.2435]
_cell_length_c [10.5601]... |
mp-23221 | PrBr3 | data_[Pr2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.0702]
_cell_length_b [8.0702]
_cell_length_c [4.4534]
_cell_angle_alpha [90.0000]
_cell... |
mp-1226452 | Cr5NiS8 | data_[Cr5Ni1S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4099]
_cell_length_b [6.6050]
_cell_length_c [6.7482]
_cell_... |
mp-5519 | HoGeAu | data_[Ho2Ge2Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.4728]
_cell_length_b [4.4728]
_cell_length_c [7.2910]
_... |
mp-1087517 | NdZnPd | data_[Nd3Zn3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4649]
_cell_length_b [7.4649]
_cell_length_c [3.9915]
_c... |
mp-1072182 | HoB2Ir3 | data_[Ho1B2Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4684]
_cell_length_b [5.4684]
_cell_length_c [3.1462]
_ce... |
mp-1205782 | Sm3(AgGe)4 | data_[Sm6Ag8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4215]
_cell_length_b [7.1935]
_cell_length_c [14.6921]
_c... |
mp-5504 | BaCO3 | data_[Ba4C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5957]
_cell_length_b [5.3777]
_cell_length_c [9.0136]
_cell_... |
mp-10468 | CeBPt2 | data_[Ce3B3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.4845]
_cell_length_b [5.4845]
_cell_length_c [7.9606]
_ce... |
mp-1285961 | Li(CoO2)3 | data_[Li4Co12O24]
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 [C2/m]
_cell_length_a [10.1410]
_cell_length_b [8.4598]
_cell_length_c [4.9491]
_c... |
mp-1213213 | CsTm(WO4)2 | data_[Cs1Tm1W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tm 1.2500 1.7500 1.0950
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0873]
_cell_length_b [6.0873... |
mp-985829 | HfS2 | data_[Hf1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6434]
_cell_length_b [3.6434]
_cell_length_c [6.5845]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-10045 | Ba5As3 | data_[Ba10As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5657]
_cell_length_b [9.5657]
_cell_length_c [7.8049]
_cell_angle_alpha [90.0000]
_c... |
mp-9636 | CsSbF6 | data_[Cs3Sb3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.1177]
_cell_length_b [8.1177]
_cell_length_c [8.3662]
_cell... |
mp-1220735 | NaLa(WO4)2 | data_[Na2La2W4O16]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.4341]
_cell_length_b [5.4341]... |
mp-1272899 | Li2Cr2CoO6 | data_[Li2Cr2Co1O6]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9388]
_cell_length_b [5.8942... |
mp-8291 | BaTiF6 | data_[Ba3Ti3F18]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5353]
_cell_length_b [7.5353]
_cell_length_c [7.3543]
_cel... |
mp-571414 | KNa(BH4)2 | data_[K1Na1B2H8]
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
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7035]
_cell_length_b [4.7035]
_... |
mp-26477 | LiCuPO4 | data_[Li2Cu2P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [4.9751]
_cell_length_b [4.9751]
... |
mp-13431 | Dy2AlCo2 | data_[Dy4Al2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0180]
_cell_length_b [5.4697]
_cell_length_c [8.3812]
_ce... |
mp-1104774 | Er3Pd4 | data_[Er18Pd24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1674]
_cell_length_b [13.1674]
_cell_length_c [5.7107]
_cell_angle_alpha [90.0000]
_cel... |
mp-685155 | ZrCl3 | data_[Zr6Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2631]
_cell_length_b [6.2631]
_cell_length_c [19.6118]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1216092 | YMn2SiGe | data_[Y2Mn4Si2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9070]
_cell_length_b [3.907... |
mp-1186484 | Pm2Mg | data_[Pm8Mg4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5777]
_cell_length_b [3.7535]
_cell_length_c [7.5617]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1008874 | MnCoTe | data_[Mn4Co4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8640]
_cell_length_b [5.8640]
_cell_length_c [5.8640]
_c... |
mp-5869 | Ca2CuO3 | data_[Ca4Cu2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2898]
_cell_length_b [3.8322]
_cell_length_c [12.1838]
_cel... |
mp-568424 | CaAlAu | data_[Ca4Al4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3351]
_cell_length_b [4.5569]
_cell_length_c [7.8054]
_ce... |
mp-1219215 | Sm2VFeO6 | data_[Sm4V2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4349]
_cell_length_b [5.68... |
mp-989511 | Cs2AsBrCl6 | data_[Cs8As4Br4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0317]
_cell_length_b [... |
mp-1245829 | Mg(Mn5N4)2 | data_[Mg2Mn20N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5869]
_cell_length_b [4.0735]
_cell_length_c [6.6341]
_c... |
mp-1102205 | TmFe4B | data_[Tm2Fe8B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0320]
_cell_length_b [5.0320]
_cell_length_c [7.0239]
_ce... |
mp-1077929 | La2CuO4 | data_[La4Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0086]
_cell_length_b [4.0086]
_cell_length_c [12.6349]
_c... |
mp-1298313 | Li2CrO2 | data_[Li8Cr4O8]
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 [C2/m]
_cell_length_a [10.4113]
_cell_length_b [2.9862]
_cell_length_c [7.3591]
_cel... |
mp-1097041 | IrO3 | data_[Ir8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1341]
_cell_length_b [7.2949]
_cell_length_c [7.3413]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1104396 | La5Ir2 | data_[La20Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.0675]
_cell_length_b [6.7796]
_cell_length_c [7.4159]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218380 | SrCa3Ag4 | data_[Sr1Ca3Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1312]
_cell_length_b [4.8229]
_cell_length_c [11.4985]
_c... |
mp-866194 | Li2MgCd | data_[Li8Mg4Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7088]
_cell_length_b [6.7088]
_cell_length_c [6.7088]
_c... |
mp-1209531 | Rb2CdI4 | data_[Rb4Cd2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4243]
_cell_length_b [8.5847]
_cell_length_c [10.3056]
_c... |
mp-764074 | Na2FeO3 | data_[Na8Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.6423]
_cell_length_b [10.2034]
_cell_length_c [5.2925]
_cell... |
mp-17325 | Ba5Sn3 | data_[Ba20Sn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.0480]
_cell_length_b [9.0480]
_cell_length_c [17.4206]
_cell_angle_alpha [90.0000]
_c... |
mp-1186767 | Ta2NbRe | data_[Ta8Nb4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5043]
_cell_length_b [6.5043]
_cell_length_c [6.5043]
_c... |
mp-557373 | Cu2WS4 | data_[Cu4W2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.4570]
_cell_length_b [5.4570]
_cell_length_c [10.6160]
_cell... |
mp-1105827 | Pr3Cu3Sb4 | data_[Pr12Cu12Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.8102]
_cell_length_b [9.8102]
_cell_length_c [9.8102]... |
mp-1189715 | Er5Ir3 | data_[Er10Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.2736]
_cell_length_b [8.2736]
_cell_length_c [6.1554]
_cell_angle_alpha [90.0000]
_c... |
mp-1226906 | Ce2Fe3Rh | data_[Ce6Fe9Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9836]
_cell_length_b [4.9836]
_cell_length_c [13.2802]
_c... |
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