Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-6098 | ErNi2B2C | data_[Er2Ni4B4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5123]
_cell_length_b [3.512... |
mp-22720 | RbSr2Nb3O10 | data_[Rb1Sr2Nb3O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9861]
_cell_length_b [3.... |
mp-1971 | HoCu | data_[Ho1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4482]
_cell_length_b [3.4482]
_cell_length_c [3.4482]
_cell_angle_alpha [90.0000]
_cell_... |
mp-18769 | CeVO3 | data_[Ce4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7993]
_cell_length_b [7.8374]
_cell_length_c [5.4363]
_cell_... |
mp-1178469 | Cu3OF5 | data_[Cu6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3853]
_cell_length_b [5.7409]
_cell_length_c [7.2333]
_cell_a... |
mp-1222349 | LiGeRhO4 | data_[Li4Ge4Rh4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8660]
_cell_length_b [6.14... |
mp-15776 | Zn(GaSe2)2 | data_[Zn2Ga4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.6370]
_cell_length_b [5.6370]
_cell_length_c [11.0718]
_ce... |
mp-756860 | LiMn5(CuO6)2 | data_[Li2Mn10Cu4O24]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.3871]
_cell_length_b [8.668... |
mp-674456 | Zr10HN8 | data_[Zr10H1N8]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6374]
_cell_length_b [5.6517]
_cell_length_c [8.6330]
_cell_a... |
mp-1105173 | Li2FeSnS4 | data_[Li4Fe2Sn2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.4580]
_cell_length_b [6.8512]... |
mp-13918 | Sr(GeAu)2 | data_[Sr2Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6086]
_cell_length_b [4.6086]
_cell_length_c [10.5035]
... |
mp-1183409 | BeAsRu2 | data_[Be4As4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8446]
_cell_length_b [5.8446]
_cell_length_c [5.8446]
_c... |
mp-1229116 | Ag3SBr | data_[Ag3S1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9217]
_cell_length_b [4.8253]
_cell_length_c [4.9807]
_cell_a... |
mp-1072922 | TbSn2 | data_[Tb4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4456]
_cell_length_b [16.3966]
_cell_length_c [4.3720]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2977 | CuAgTe2 | data_[Cu1Ag1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1495]
_cell_length_b [4.2900]
_cell_length_c [7.6121]
_ce... |
mp-1218976 | Sn2GeTe3 | data_[Sn2Ge1Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4263]
_cell_length_b [4.4263]
_cell_length_c [10.9835]
_... |
mp-1217486 | TbMnFe | data_[Tb4Mn4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.0876]
_cell_length_b [5.2102]
_cell_length_c [7.2659]
_ce... |
mp-1105669 | NdZn3 | data_[Nd4Zn12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7198]
_cell_length_b [4.5320]
_cell_length_c [10.3483]
_cell_angle_alpha [90.0000]
_cell... |
mp-1226023 | Cr6BC3 | data_[Cr12B2C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.9382]
_cell_length_b [2.8452]
_cell_length_c [9.2107]
_cell_... |
mp-771973 | BaLa2Cl8 | data_[Ba2La4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8345]
_cell_length_b [12.9252]
_cell_length_c [5.5198]
_... |
mp-1104799 | Tm(Fe2Si)2 | data_[Tm2Fe8Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0401]
_cell_length_b [7.0401]
_cell_length_c [3.7616]... |
mp-755331 | Mn2OF3 | data_[Mn8O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.3394]
_cell_length_b [6.9830]
_cell_length_c [6.7870]
_cell_... |
mp-303 | BaZn5 | data_[Ba4Zn20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.9253]
_cell_length_b [8.4894]
_cell_length_c [5.3374]
_cell_angle_alpha [90.0000]
_cell... |
mp-1205490 | La3(AgSn)4 | data_[La6Ag8Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7781]
_cell_length_b [7.5038]
_cell_length_c [15.8266]
_c... |
mp-1027115 | MoW3(SeS3)2 | data_[Mo1W3Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2235]
_cell_length_b [3.2235]... |
mp-29633 | LiGePd2 | data_[Li4Ge4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0893]
_cell_length_b [6.0893]
_cell_length_c [6.0893]
_c... |
mp-1210431 | Na2MgGeO4 | data_[Na4Mg2Ge2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.4232]
_cell_length_b [5.6925]... |
mp-21059 | Sr4Fe4O11 | data_[Sr8Fe8O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8209]
_cell_length_b [11.1350]
_cell_length_c [5.5433]
_ce... |
mp-1215968 | YBeCu4 | data_[Y1Be1Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.0594]
_cell_length_b [5.0594]
_cell_length_c [3.8698]
_cel... |
mp-571542 | CeAlCo | data_[Ce4Al4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0802]
_cell_length_b [4.4328]
_cell_length_c [4.7384]
_c... |
mp-1222958 | LaEuS2 | data_[La3Eu3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1541]
_cell_length_b [4.1541]
_cell_length_c [20.3031]
_cel... |
mp-978514 | SmTm3 | data_[Sm1Tm3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9801]
_cell_length_b [4.9801]
_cell_length_c [4.9801]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183388 | BaEu3 | data_[Ba2Eu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.2487]
_cell_length_b [8.2487]
_cell_length_c [6.6584]
_cell_angle_alpha [90.0000]
_ce... |
mp-867189 | Pm3Pb | data_[Pm3Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9826]
_cell_length_b [4.9826]
_cell_length_c [4.9826]
_cell_angle_alpha [90.0000]
_cell_... |
mp-975886 | PrSmZn2 | data_[Pr4Sm4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3618]
_cell_length_b [7.3618]
_cell_length_c [7.3618]
_c... |
mp-1518565 | BaEuDyWO6 | data_[Ba2Eu2Dy2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
Dy 1.2200 1.7500 1.1310
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a ... |
mvc-9671 | PrZn(MoO3)2 | data_[Pr2Zn2Mo4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.5084]
_cell_length_b [5.8774... |
mp-22008 | EuIn4Pd | data_[Eu4In16Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5982]
_cell_length_b [17.2654]
_cell_length_c [7.4911]
_... |
mp-1102291 | La3TaO7 | data_[La6Ta2O14]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7608]
_cell_length_b [11.1523]
_cell_length_c [3.9685]
_ce... |
mp-20366 | Sm3Ga | data_[Sm3Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8059]
_cell_length_b [4.8059]
_cell_length_c [4.8059]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1025509 | ZrZnF6 | data_[Zr4Zn4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1750]
_cell_length_b [8.1750]
_cell_length_c [8.1750]
_ce... |
mp-1077578 | CeGaAg | data_[Ce4Ga4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6534]
_cell_length_b [7.2122]
_cell_length_c [7.9896]
_ce... |
mp-1104707 | Na(GeP)3 | data_[Na2Ge6P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.6660]
_cell_length_b [8.4337]
_cell_length_c [10.4092]
_c... |
mp-11573 | TiTc | data_[Ti1Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.1069]
_cell_length_b [3.1069]
_cell_length_c [3.1069]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1094661 | MgGa | data_[Mg6Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.2133]
_cell_length_b [5.2635]
_cell_length_c [5.6295]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-865013 | EuAgAu2 | data_[Eu4Ag4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1401]
_cell_length_b [7.1401]
_cell_length_c [7.1401]
_c... |
mp-1018824 | NpSbTe | data_[Np2Sb2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3142]
_cell_length_b [4.3142]
_cell_length_c [9.0201]
_... |
mp-1221791 | Mn2Sb2PtAu | data_[Mn6Sb6Pt3Au3]
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
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4852]
_cell_length_b [4.48... |
mp-19937 | NpSi | data_[Np8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2807]
_cell_length_b [12.1001]
_cell_length_c [6.3760]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23034 | SrZnCl4 | data_[Sr4Zn4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [6.5632]
_cell_length_b [6.5632]
_cell_length_c [14.6282]... |
mp-862770 | Tc3Ir | data_[Tc6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5396]
_cell_length_b [5.5396]
_cell_length_c [4.3635]
_cell_angle_alpha [90.0000]
_ce... |
mp-644506 | NaAlH2CO5 | data_[Na4Al4H8C4O20]
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
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [... |
mp-715566 | CrO3 | data_[Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [5.7875]
_cell_length_b [8.4050]
_cell_length_c [5.0798]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-22312 | Nb4FeSi | data_[Nb8Fe2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.1948]
_cell_length_b [6.1948]
_cell_length_c [5.0962]
_... |
mp-1106184 | MnB4 | data_[Mn4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4437]
_cell_length_b [5.3639]
_cell_length_c [5.4759]
_cell_angle_alpha [90.0000]
_cell_... |
mp-7366 | Sr(AgSn)2 | data_[Sr2Ag4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7669]
_cell_length_b [4.7669]
_cell_length_c [11.6585]
... |
mp-26691 | Li3Ni(PO4)2 | data_[Li6Ni2P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2708]
_cell_length_b [5.4240... |
mp-1023924 | MoS2 | data_[Mo1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1903]
_cell_length_b [3.1903]
_cell_length_c [17.4395]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1542940 | TiTlPS5 | data_[Ti4Tl4P4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3298]
_cell_length_b [7.125... |
mp-1288876 | VReO4 | data_[V4Re4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.7057]
_cell_length_b [6.6901]
_cell_length_c [6.9191]
_cell_... |
mp-27373 | SnClF | data_[Sn4Cl4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3302]
_cell_length_b [4.4037]
_cell_length_c [10.5378]
_cel... |
mp-1103558 | PrGaNi | data_[Pr4Ga4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1161]
_cell_length_b [4.3732]
_cell_length_c [7.5184]
_ce... |
mp-1226384 | Gd(CuS)3 | data_[Gd6Cu18S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7701]
_cell_length_b [6.7701]
_cell_length_c [19.3397]
_ce... |
mp-30451 | SrCuBi | data_[Sr2Cu2Bi2]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6820]
_cell_length_b [4.6820]
_cell_length_c [8.9253]... |
mp-1206730 | Sr2MgMoO6 | data_[Sr8Mg4Mo4O24]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0030]
_cell_length_b [8.0... |
mp-561067 | KRb2FeF6 | data_[K4Rb8Fe4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0299]
_cell_length_b [9.029... |
mp-1186531 | Pm3Pr | data_[Pm6Pr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3498]
_cell_length_b [7.3498]
_cell_length_c [6.0353]
_cell_angle_alpha [90.0000]
_ce... |
mp-982619 | Ho3Tm | data_[Ho6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1890]
_cell_length_b [7.1890]
_cell_length_c [5.5788]
_cell_angle_alpha [90.0000]
_ce... |
mp-22666 | NdCu3(RuO3)4 | data_[Nd2Cu6Ru8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.5334]
_cell_length_b [7.53... |
mp-570213 | LiMgBi | data_[Li4Mg4Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8494]
_cell_length_b [6.8494]
_cell_length_c [6.8494]
_c... |
mp-972185 | Tl3Hg | data_[Tl3Hg1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9278]
_cell_length_b [4.9278]
_cell_length_c [4.9278]
_cell_angle_alpha [90.0000]
_cell_... |
mp-684609 | HCl | data_[H2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2507]
_cell_length_b [5.7484]
_cell_length_c [4.3438]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1024960 | PrScSi | data_[Pr4Sc4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3109]
_cell_length_b [4.3109]
_cell_length_c [16.0237]
... |
mp-1039340 | Ca2Mg | data_[Ca8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.9888]
_cell_length_b [6.3116]
_cell_length_c [5.9454]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1222386 | LiBH4 | data_[Li4B4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7106]
_cell_length_b [5.7106]
_cell_length_c [5.7106]
_cell... |
mp-978984 | TmMgPt2 | data_[Tm4Mg4Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6761]
_cell_length_b [6.6761]
_cell_length_c [6.6761]
_c... |
mp-867222 | LiCa2Ir | data_[Li4Ca8Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0782]
_cell_length_b [7.0782]
_cell_length_c [7.0782]
_c... |
mp-1220597 | Nb3SnH2 | data_[Nb12Sn4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [5.4648]
_cell_length_b [7.7309]
_cell_length_c [7.7038]
_cel... |
mp-1080665 | ScPIr | data_[Sc3P3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.3635]
_cell_length_b [6.3635]
_cell_length_c [3.9513]
_cel... |
mp-1206046 | Zr6CoBi2 | data_[Zr6Co1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9650]
_cell_length_b [7.9650]
_cell_length_c [3.6695]
_c... |
mp-1225267 | DyAlGa | data_[Dy1Al1Ga1]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4443]
_cell_length_b [4.4443]
_cell_length_c [3.5932]
_c... |
mp-1222942 | LaCu3Ni2 | data_[La1Cu3Ni2]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0150]
_cell_length_b [5.0150]
_cell_length_c [4.1026]
_... |
mp-19132 | HgWO4 | data_[Hg4W4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6103]
_cell_length_b [6.2170]
_cell_length_c [5.2741]
_cell... |
mp-19266 | Sr2FeWO6 | data_[Sr4Fe2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7588]
_cell_length_b [5.74... |
mp-7863 | Rb2Sn2O3 | data_[Rb6Sn6O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2397]
_cell_length_b [6.2397]
_cell_length_c [15.3609]
_cel... |
mp-770848 | Li2TiCo2O5 | data_[Li8Ti4Co8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.0794]
_cell_length_b [14.9... |
mp-570775 | BaAu | data_[Ba4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4783]
_cell_length_b [5.0356]
_cell_length_c [6.5208]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1216571 | V2MoS4 | data_[V4Mo2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7587]
_cell_length_b [3.2447]
_cell_length_c [5.9434]
_cell_an... |
mp-1225908 | CsTi3AlO8 | data_[Cs1Ti3Al1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.0390]
_cell_length_b [7.3744]... |
mp-1205406 | U3VSb5 | data_[U6V2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.1131]
_cell_length_b [9.1131]
_cell_length_c [6.0822]
_c... |
mp-1103697 | Bi2Pd3Se2 | data_[Bi8Pd12Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9459]
_cell_length_b [8.5745]
_cell_length_c [8.5439]
_... |
mp-1184278 | GaPd3 | data_[Ga2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6140]
_cell_length_b [5.6140]
_cell_length_c [4.4562]
_cell_angle_alpha [90.0000]
_ce... |
mp-606777 | Eu(InAu)3 | data_[Eu2In6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.5934]
_cell_length_b [7.7720]
_cell_length_c [9.1851]
_ce... |
mp-5330 | LaAlSi2 | data_[La2Al2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1831]
_cell_length_b [4.1831]
_cell_length_c [11.4607]
_... |
mp-30877 | SrTl2 | data_[Sr2Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2149]
_cell_length_b [5.2149]
_cell_length_c [8.4353]
_cell_angle_alpha [90.0000]
_ce... |
mp-1112007 | Cs2RbAsCl6 | data_[Cs8Rb4As4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2966]
_cell_length_b [... |
mp-1543041 | CaVF5 | data_[Ca4V4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1606]
_cell_length_b [6.5892]
_cell_length_c [7.8320]
_cell_... |
mp-778056 | Mn3O5F | data_[Mn12O20F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.3126]
_cell_length_b [19.8254]
_cell_length_c [2.9867]
_cel... |
mp-20718 | EuNiO3 | data_[Eu4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4746]
_cell_length_b [7.6499]
_cell_length_c [5.4177]
_cel... |
mp-568747 | K(NiSe)2 | data_[K2Ni4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9037]
_cell_length_b [3.9037]
_cell_length_c [13.3993]
_c... |
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