Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1221764 | MnCu3(SeO3)4 | data_[Mn1Cu3Se4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3483]
_cell_length_b [6.078... |
mp-1226546 | CeUO4 | data_[Ce3U3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8647]
_cell_length_b [3.8647]
_cell_length_c [18.7552]
_cell... |
mp-823 | TiCo | data_[Ti1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [2.9781]
_cell_length_b [2.9781]
_cell_length_c [2.9781]
_cell_angle_alpha [90.0000]
_cell_... |
mp-567 | La3S4 | data_[La12S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.7403]
_cell_length_b [8.7403]
_cell_length_c [8.7403]
_cell_angle_alpha [90.0000]
_cell_... |
mp-19126 | NdCrO4 | data_[Nd4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.4366]
_cell_length_b [7.4366]
_cell_length_c [6.4461]
... |
mp-690772 | V5S8 | data_[V10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3322]
_cell_length_b [6.6176]
_cell_length_c [7.9500]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1207579 | Yb5As3 | data_[Yb10As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4915]
_cell_length_b [8.4915]
_cell_length_c [6.6727]
_cell_angle_alpha [90.0000]
_c... |
mp-1222868 | LaNdNi10 | data_[La1Nd1Ni10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9613]
_cell_length_b [4.9629]
_cell_length_c [8.5680]
_c... |
mp-978293 | Mg3Pb | data_[Mg6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5668]
_cell_length_b [4.5668]
_cell_length_c [9.3345]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206045 | MnAg2SnTe4 | data_[Mn2Ag4Sn2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.4272]
_cell_length_b [6.... |
mp-4439 | Pr(SiNi)2 | data_[Pr2Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0700]
_cell_length_b [4.0700]
_cell_length_c [9.6405]
_... |
mp-23120 | Cs2NaYCl6 | data_[Cs8Na4Y4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9136]
_cell_length_b [10... |
mp-23884 | SrGe(HO2)2 | data_[Sr4Ge4H8O16]
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
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.4262]
_cell_length_b [7.426... |
mp-1246794 | Mg(CrS2)4 | data_[Mg4Cr16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.9551]
_cell_length_b [9.9551]
_cell_length_c [9.9551]
_c... |
mp-1018650 | Ba2ClF3 | data_[Ba2Cl1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4977]
_cell_length_b [4.4977]
_cell_length_c [7.5008]
_cel... |
mp-7349 | Ba(BRh)2 | data_[Ba2B4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9450]
_cell_length_b [3.9450]
_cell_length_c [11.5089]
_c... |
mp-1219927 | Pr2Al3Ag | data_[Pr2Al3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8164]
_cell_length_b [4.6407]
_cell_length_c [8.0762]
_ce... |
mp-1210086 | NaGa(SO4)2 | data_[Na2Ga2S4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9957]
_cell_length_b [5.1655... |
mp-7543 | LiVS2 | data_[Li1V1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4812]
_cell_length_b [3.4812]
_cell_length_c [6.0486]
_cell_... |
mp-1103410 | Bi3Te2S | data_[Bi6Te4S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3786]
_cell_length_b [4.3786]
_cell_length_c [24.5876]
_ce... |
mp-754658 | TeO3 | data_[Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [5.2189]
_cell_length_b [4.9260]
_cell_length_c [8.4653]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-122 | Ba | data_[Ba2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [5.0303]
_cell_length_b [5.0303]
_cell_length_c [5.0303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1187474 | Ti3Zn | data_[Ti6Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9644]
_cell_length_b [3.9644]
_cell_length_c [8.3014]
_cell_angle_alpha [90.0000]
_cell... |
mp-867256 | DyCdAg2 | data_[Dy4Cd4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0083]
_cell_length_b [7.0083]
_cell_length_c [7.0083]
_c... |
mp-1225910 | Gd(VFe5)2 | data_[Gd2V4Fe20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7065]
_cell_length_b [8.4363]
_cell_length_c [8.5081]
_cel... |
mp-862710 | Sc2CdTc | data_[Sc8Cd4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7438]
_cell_length_b [6.7438]
_cell_length_c [6.7438]
_c... |
mp-753140 | Li3Ti2(FeO4)2 | data_[Li6Ti4Fe4O16]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4107]
_cell_length_b [5.9... |
mp-973585 | LuIO | data_[Lu2I2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8602]
_cell_length_b [3.8602]
_cell_length_c [9.8942]
_cell... |
mp-1187151 | SrCa3 | data_[Sr1Ca3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6257]
_cell_length_b [5.6257]
_cell_length_c [5.6257]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1221876 | Mn3Cr3P2 | data_[Mn12Cr12P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.7282]
_cell_length_b [4.4269]
_cell_length_c [8.9961]
_cel... |
mp-1185270 | LiNpRh2 | data_[Li4Np4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Np 1.3600 1.7500 1.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4210]
_cell_length_b [6.4210]
_cell_length_c [6.4210]
_c... |
mp-1102812 | HPb2IO2 | data_[H4Pb8I4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7354]
_cell_length_b [4.2824]
... |
mp-1106322 | Lu5Tl3 | data_[Lu10Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.8221]
_cell_length_b [8.8221]
_cell_length_c [6.5474]
_cell_angle_alpha [90.0000]
_c... |
mp-568664 | CaAgBi | data_[Ca2Ag2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.9065]
_cell_length_b [4.9065]
_cell_length_c [7.8429]
_... |
mp-12919 | LaPIr | data_[La4P4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.1709]
_cell_length_b [4.1709]
_cell_length_c [14.3855]
_c... |
mp-9251 | TlTe3Pt2 | data_[Tl2Te6Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.0686]
_cell_length_b [8.0686]
_cell_length_c [6.0607]
_c... |
mp-29861 | K2Mn3S4 | data_[K4Mn6S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3128]
_cell_length_b [6.0270]
_cell_length_c [11.1461]
_cell_... |
mp-1219581 | RbMgAlF6 | data_[Rb4Mg4Al4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1107]
_cell_length_b [7.22... |
mp-981393 | Lu2HgAu | data_[Lu8Hg4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1822]
_cell_length_b [7.1822]
_cell_length_c [7.1822]
_c... |
mp-7104 | CsCaF3 | data_[Cs1Ca1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5819]
_cell_length_b [4.5819]
_cell_length_c [4.5819]
_cel... |
mp-862873 | AcAgHg2 | data_[Ac4Ag4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5542]
_cell_length_b [7.5542]
_cell_length_c [7.5542]
_c... |
mp-1187361 | TbMg3 | data_[Tb2Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7031]
_cell_length_b [6.7031]
_cell_length_c [5.1855]
_cell_angle_alpha [90.0000]
_ce... |
mp-1209282 | Rb3ScF6 | data_[Rb6Sc2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [6.5365]
_cell_length_b [6.5365]
_cell_length_c [9.4665]
_c... |
mp-971941 | Zn3Ni | data_[Zn6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6567]
_cell_length_b [3.6567]
_cell_length_c [7.8938]
_cell_angle_alpha [90.0000]
_cell... |
mp-3494 | CeGa3Pd2 | data_[Ce1Ga3Pd2]
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 [P6/mmm]
_cell_length_a [5.3996]
_cell_length_b [5.3996]
_cell_length_c [4.3196]
_... |
mp-1218953 | SnGe4Te4Se | data_[Sn3Ge12Te12Se3]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2228]
_cell_length_b [4.... |
mp-555760 | S | data_[S9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3_221]
_cell_length_a [8.4409]
_cell_length_b [8.4409]
_cell_length_c [4.4034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-404 | MnTe | data_[Mn2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2200]
_cell_length_b [4.2200]
_cell_length_c [5.9461]
_cell_angle_alpha [90.0000]
_ce... |
mp-1215681 | YUAs2 | data_[Y1U1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
U 1.3800 1.7500 0.9913
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1164]
_cell_length_b [4.1164]
_cell_length_c [5.8011]
_cell... |
mp-1077017 | HfV2 | data_[Hf4V8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.2508]
_cell_length_b [5.2508]
_cell_length_c [7.1313]
_cell_angle_alpha [90.0000]
_cell... |
mp-1223423 | La2MgNi9 | data_[La6Mg3Ni27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9930]
_cell_length_b [4.9930]
_cell_length_c [24.0412]
_c... |
mp-1025369 | Tm2Mo2C3 | data_[Tm4Mo4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5821]
_cell_length_b [3.3094]
_cell_length_c [5.6622]
_cel... |
mp-1320 | CeSe2 | data_[Ce4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3317]
_cell_length_b [4.2121]
_cell_length_c [8.4175]
_cell_angle_alpha [90.0000]
_cell... |
mp-12637 | Ba2NdNbO6 | data_[Ba8Nd4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7191]
_cell_length_b [8.7... |
mp-1102447 | ReTe2 | data_[Re4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0998]
_cell_length_b [7.2504]
_cell_length_c [7.7513]
_cell_angle_alpha [73.9206]
_cell_an... |
mp-1206239 | Hf6CoSb2 | data_[Hf6Co1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7505]
_cell_length_b [7.7505]
_cell_length_c [3.5826]
_c... |
mp-1186436 | Pm2CdHg | data_[Pm8Cd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6505]
_cell_length_b [7.6505]
_cell_length_c [7.6505]
_c... |
mp-1094476 | MgZn3 | data_[Mg2Zn6]
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 [I4/mmm]
_cell_length_a [4.1185]
_cell_length_b [4.1185]
_cell_length_c [7.7728]
_cell_angle_alpha [90.0000]
_cell... |
mp-972530 | Sm2AgRh | data_[Sm8Ag4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1941]
_cell_length_b [7.1941]
_cell_length_c [7.1941]
_c... |
mp-979912 | Yb5Sn3 | data_[Yb10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.3430]
_cell_length_b [9.3430]
_cell_length_c [6.6843]
_cell_angle_alpha [90.0000]
_c... |
mp-10495 | NdCuS2 | data_[Nd4Cu4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5115]
_cell_length_b [7.2036]
_cell_length_c [6.8891]
_ce... |
mp-568661 | Cd(InSe2)2 | data_[Cd2In4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.8884]
_cell_length_b [5.8884]
_cell_length_c [12.1635]
_... |
mp-761572 | Li2TiCoO4 | data_[Li4Ti2Co2O8]
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 [I-4m2]
_cell_length_a [4.0691]
_cell_length_b [4.06... |
mp-10390 | Ta2O5 | data_[Ta8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9502]
_cell_length_b [4.9300]
_cell_length_c [5.5986]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-28458 | ErSeI | data_[Er2Se2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2028]
_cell_length_b [5.6133]
_cell_length_c [9.8198]
_cell... |
mp-7250 | Nb6Co7 | data_[Nb18Co21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8977]
_cell_length_b [4.8977]
_cell_length_c [26.1769]
_cell_angle_alpha [90.0000]
_cel... |
mp-1095190 | DyInCo2 | data_[Dy2In2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.0097]
_cell_length_b [4.0159]
_cell_length_c [7.1354]
_ce... |
mp-1272771 | LiFeOF | data_[Li2Fe2O2F2]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0776]
_cell_length_b [4.3843]... |
mp-31204 | Nd(SiAg)2 | data_[Nd2Si4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2490]
_cell_length_b [4.2490]
_cell_length_c [10.7559]
... |
mp-1188029 | Zr3Cd | data_[Zr3Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4687]
_cell_length_b [4.4687]
_cell_length_c [4.4687]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184119 | CuPd3 | data_[Cu2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8433]
_cell_length_b [3.8433]
_cell_length_c [7.8963]
_cell_angle_alpha [90.0000]
_cell... |
mp-973142 | ScZn2Pd | data_[Sc4Zn8Pd4]
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 [Fm-3m]
_cell_length_a [6.3493]
_cell_length_b [6.3493]
_cell_length_c [6.3493]
_c... |
mp-998233 | InGeCl3 | data_[In2Ge2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1681]
_cell_length_b [7.5152]
_cell_length_c [5.6477]
_cell... |
mp-1101684 | NaCu3O4 | data_[Na2Cu6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4545]
_cell_length_b [10.8705]
_cell_length_c [3.4500]
_cel... |
mp-754319 | Li3Nb(NiO2)4 | data_[Li6Nb2Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3163]
_cell_length_b [6.0... |
mp-1215430 | Zn2SeS | data_[Zn2Se1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9588]
_cell_length_b [3.9588]
_cell_length_c [5.5907]
_cel... |
mp-865862 | CeAgAu2 | data_[Ce4Ag4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
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 [7.0895]
_cell_length_b [7.0895]
_cell_length_c [7.0895]
_c... |
mp-31147 | BaZnSi | data_[Ba2Zn2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3974]
_cell_length_b [4.3974]
_cell_length_c [9.8167]... |
mp-1226812 | Ce2ThS3 | data_[Ce2Th1S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Th 1.3000 1.8000 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0320]
_cell_length_b [4.0320]
_cell_length_c [9.8461]
_cel... |
mp-1177678 | Li3Fe2(SiO4)2 | data_[Li6Fe4Si4O16]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.6366]
_cell_length_b [7.3260... |
mp-8756 | KLiSe | data_[K2Li2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5297]
_cell_length_b [4.5297]
_cell_length_c [7.3149]
_ce... |
mp-6252 | Sr2CuTeO6 | data_[Sr4Cu2Te2O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.4671]
_cell_length_b [5.46... |
mp-1215421 | YbAgS2 | data_[Yb1Ag1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8889]
_cell_length_b [3.8889]
_cell_length_c [5.5055]
_ce... |
mp-4326 | KErS2 | data_[K3Er3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0183]
_cell_length_b [4.0183]
_cell_length_c [22.0817]
_cell_... |
mp-1188700 | InAsH2O5 | data_[In2As2H4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6090]
_cell_length_b [5.7597]... |
mp-1114666 | Rb3TmCl6 | data_[Rb12Tm4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4202]
_cell_length_b [11.4202]
_cell_length_c [11.420... |
mp-865110 | NaMgTl2 | data_[Na4Mg4Tl8]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5179]
_cell_length_b [7.5179]
_cell_length_c [7.5179]
_c... |
mp-1213291 | Dy6InCo2 | data_[Dy24In4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.4045]
_cell_length_b [9.6542]
_cell_length_c [9.9881]
_c... |
mp-570990 | Cs2MoCl6 | data_[Cs8Mo4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6104]
_cell_length_b [10.6104]
_cell_length_c [10.6104... |
mp-1304922 | Mg2FeIrO6 | data_[Mg4Fe2Ir2O12]
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
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1401]
_cell_length_b [5.... |
mp-1184192 | Er3Tm | data_[Er6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1445]
_cell_length_b [7.1445]
_cell_length_c [5.5759]
_cell_angle_alpha [90.0000]
_ce... |
mp-1018717 | HfSb2 | data_[Hf2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1469]
_cell_length_b [4.1469]
_cell_length_c [8.5733]
_cell_angle_alpha [90.0000]
_cell... |
mp-569410 | PCl5 | data_[P6Cl30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2885]
_cell_length_b [8.6771]
_cell_length_c [9.2408]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-29866 | SnCl4 | data_[Sn4Cl16]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.7797]
_cell_length_b [7.2684]
_cell_length_c [10.8871]
_cell_angle_alpha [90.0000]
_c... |
mp-570287 | Ta5Si3 | data_[Ta20Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.0094]
_cell_length_b [10.0094]
_cell_length_c [5.1271]
_cell_angle_alpha [90.0000]
_... |
mp-1247128 | SmMg2Cr3S8 | data_[Sm3Mg6Cr9S24]
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
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3632]
_cell_length_b [7.36... |
mp-1078332 | RbCa(FeAs)4 | data_[Rb1Ca1Fe4As4]
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
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9391]
_cell_length_b [3... |
mp-1188981 | Tm3Sb4Au3 | data_[Tm12Sb16Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.8857]
_cell_length_b [9.8857]
_cell_length_c [9.8857]... |
mp-1207204 | LuF3 | data_[Lu1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8805]
_cell_length_b [3.8805]
_cell_length_c [4.2646]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1178027 | Li2CoNi3O8 | data_[Li2Co1Ni3O8]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6263]
_cell_length_b [5.6916... |
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