Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1207703 | Y5SbPt2 | data_[Y20Sb4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7877]
_cell_length_b [7.7877]
_cell_length_c [13.7682]
_... |
mp-1095109 | Ba2BiIrO6 | data_[Ba8Bi4Ir4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5960]
_cell_length_b [8.5... |
mp-1224689 | GdErCo4 | data_[Gd4Er4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1279]
_cell_length_b [7.1279]
_cell_length_c [7.1279]
_... |
mp-753638 | Li3Nb2Fe3O10 | data_[Li3Nb2Fe3O10]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2606]
_cell_length_b [5.3597... |
mp-1189094 | Eu3Au | data_[Eu12Au4]
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 [Pnma]
_cell_length_a [8.0491]
_cell_length_b [10.2164]
_cell_length_c [6.9913]
_cell_angle_alpha [90.0000]
_cell... |
mp-4519 | KPrO2 | data_[K3Pr3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pr 1.1300 1.8500 1.0600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6795]
_cell_length_b [3.6795]
_cell_length_c [18.9805]
_cell_... |
mp-1027537 | Mo3W(SeS3)2 | data_[Mo3W1Se2S6]
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 [3.2239]
_cell_length_b [3.2239]... |
mp-9631 | AlAgO2 | data_[Al2Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9187]
_cell_length_b [2.9187]
_cell_length_c [12.3947]
... |
mp-1114584 | Rb2LiYI6 | data_[Rb8Li4Y4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.0198]
_cell_length_b [12.0... |
mp-1078814 | Ce2C2Cl | data_[Ce8C8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2451]
_cell_length_b [4.1613]
_cell_length_c [6.5605]
_cel... |
mp-1017983 | TiMo3 | data_[Ti2Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1770]
_cell_length_b [4.4474]
_cell_length_c [8.9783]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1221046 | NaPuF4 | data_[Na3Pu3F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pu 1.2800 1.7500 0.9675
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2097]
_cell_length_b [7.2123]
_cell_length_c [7.2392]
_cell_... |
mvc-4845 | W2O5 | data_[W4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.0341]
_cell_length_b [12.9126]
_cell_length_c [3.8683]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1072619 | PrAg2 | data_[Pr4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8443]
_cell_length_b [7.3361]
_cell_length_c [8.1756]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-552098 | Bi2SeO2 | data_[Bi4Se2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9280]
_cell_length_b [3.9280]
_cell_length_c [12.3994]
_c... |
mp-20836 | Nd(NiAs)2 | data_[Nd2Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2089]
_cell_length_b [4.2089]
_cell_length_c [9.4767]
_... |
mp-768422 | TmHO2 | data_[Tm4H4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8872]
_cell_length_b [5.4344]
_cell_length_c [5.8934]
_cell... |
mp-758673 | LiNb2O4 | data_[Li2Nb4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.1652]
_cell_length_b [10.7268]
_cell_length_c [2.9730]
_cel... |
mp-9489 | NaSmTiO4 | data_[Na2Sm2Ti2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sm 1.1700 1.8500 1.2290
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7432]
_cell_length_b [3.7... |
mp-1114696 | KRb2RuF6 | data_[K4Rb8Ru4F24]
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
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1153]
_cell_length_b [9.115... |
mp-1079364 | Cs2TcF6 | data_[Cs2Tc1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tc 1.9000 1.3500 0.7417
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3612]
_cell_length_b [6.3612]
_cell_length_c [5.1575]
_cel... |
mp-2065 | MnS | data_[Mn4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.1238]
_cell_length_b [5.1238]
_cell_length_c [5.1238]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-12537 | Ti2GaC | data_[Ti4Ga2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0799]
_cell_length_b [3.0799]
_cell_length_c [13.4533]
... |
mp-1025732 | Te4Mo(WSe)2 | data_[Te4Mo1W2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4750]
_cell_length_b [3.475... |
mp-1078420 | ZnCu2GeTe4 | data_[Zn2Cu4Ge2Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.1241]
_cell_length_b [6.12... |
mp-1227510 | Bi4IBr3 | data_[Bi16I4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3315]
_cell_length_b [14.4145]
_cell_length_c [20.6335]... |
mp-6917 | TmAgSn | data_[Tm2Ag2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.7151]
_cell_length_b [4.7151]
_cell_length_c [7.3353]
_... |
mp-1025023 | TbCBr | data_[Tb4C4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0776]
_cell_length_b [3.8133]
_cell_length_c [10.5650]
_cel... |
mp-1112940 | Cs2AgSbCl6 | data_[Cs8Ag4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8516]
_cell_length_b [... |
mp-1215696 | Zn2InCuS4 | data_[Zn4In2Cu2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.5092]
_cell_length_b [5.50... |
mp-20938 | RbIn5S8 | data_[Rb2In10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3078]
_cell_length_b [3.9270]
_cell_length_c [9.3968]
_c... |
mp-759286 | NaNi2O3 | data_[Na1Ni2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0088]
_cell_length_b [3.0088]
_cell_length_c [7.7198]
_cel... |
mp-867338 | AcCdAg2 | data_[Ac4Cd4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
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 [7.4613]
_cell_length_b [7.4613]
_cell_length_c [7.4613]
_c... |
mp-977390 | Ta3Ru | data_[Ta12Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4733]
_cell_length_b [6.4733]
_cell_length_c [6.4733]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183641 | Cd3Pt | data_[Cd6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1597]
_cell_length_b [4.1597]
_cell_length_c [8.8734]
_cell_angle_alpha [90.0000]
_cell... |
mp-1114342 | KRb2EuCl6 | data_[K4Rb8Eu4Cl24]
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
Eu 1.2000 1.8500 1.1985
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4135]
_cell_length_b [11... |
mp-976378 | La3Sn4 | data_[La12Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5688]
_cell_length_b [12.0143]
_cell_length_c [16.0303]
_cell_angle_alpha [90.0000]
_ce... |
mp-1183139 | AcNiO3 | data_[Ac1Ni1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9356]
_cell_length_b [3.9356]
_cell_length_c [3.9356]
_cel... |
mp-1095340 | BaTbAgS3 | data_[Ba4Tb4Ag4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7019]
_cell_length_b [4.0... |
mp-763540 | LiNi(CO3)2 | data_[Li2Ni2C4O12]
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
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.2061]
_cell_length_b [7.6531... |
mp-1187762 | Y2RuPt | data_[Y8Ru4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9168]
_cell_length_b [6.9168]
_cell_length_c [6.9168]
_cel... |
mp-1186887 | RbNa2Bi | data_[Rb4Na8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1412]
_cell_length_b [8.1412]
_cell_length_c [8.1412]
_c... |
mp-984704 | CaAgHg2 | data_[Ca4Ag4Hg8]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2267]
_cell_length_b [7.2267]
_cell_length_c [7.2267]
_c... |
mp-961693 | ZrInAu | data_[Zr4In4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5253]
_cell_length_b [6.5253]
_cell_length_c [6.5253]
_c... |
mp-11193 | VAuS2 | data_[V2Au2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2255]
_cell_length_b [3.2255]
_cell_length_c [15.1886]
_c... |
mp-974066 | Nd3Sm | data_[Nd3Sm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1908]
_cell_length_b [5.1908]
_cell_length_c [5.1908]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1068042 | Yb(MgBi)2 | data_[Yb1Mg2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7895]
_cell_length_b [4.7895]
_cell_length_c [7.7002]
_c... |
mp-29819 | Ba2Si3Ni | data_[Ba6Si9Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [11.4605]
_cell_length_b [11.4605]
_cell_length_c [3.9234]
... |
mp-1226070 | CoCuS4 | data_[Co2Cu2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
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 [5.7425]
_cell_length_b [5.5932]
_cell_length_c [5.5925]
_ce... |
mp-625733 | La(HO)3 | data_[La2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [6.5260]
_cell_length_b [6.5260]
_cell_length_c [3.8733]
_cell_a... |
mp-861868 | KNaLaTaO5 | data_[K2Na2La2Ta2O10]
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
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 [P4/nmm]
_cell_length... |
mp-1223400 | KNbCl6 | data_[K3Nb3Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2950]
_cell_length_b [7.2950]
_cell_length_c [18.5443]
_cel... |
mp-19912 | UMnSe3 | data_[U4Mn4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9069]
_cell_length_b [10.9550]
_cell_length_c [9.1626]
_ce... |
mp-754560 | Mn3OF5 | data_[Mn6O2F10]
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 [P1]
_cell_length_a [4.8651]
_cell_length_b [5.8726]
_cell_length_c [8.1386]
_cell_an... |
mp-1217686 | Tb2Al3Co | data_[Tb6Al9Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4946]
_cell_length_b [5.4946]
_cell_length_c [13.0058]
_c... |
mp-1212072 | HoPPd | data_[Ho4P4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8955]
_cell_length_b [4.0035]
_cell_length_c [7.7437]
_cell... |
mp-1026933 | TeMo2SeS2 | data_[Te2Mo4Se2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3079]
_cell_length_b [3.307... |
mp-1217189 | Ti5Mn7 | data_[Ti5Mn7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8041]
_cell_length_b [4.8041]
_cell_length_c [7.9092]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1206565 | Pr2CdAu2 | data_[Pr4Cd2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.2435]
_cell_length_b [8.2435]
_cell_length_c [3.8947]
_... |
mp-7931 | SrP | data_[Sr6P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1004]
_cell_length_b [8.1004]
_cell_length_c [6.0505]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-9518 | NdZnPO | data_[Nd6Zn6P6O6]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0023]
_cell_length_b [4.0023]... |
mp-19859 | CuMoF6 | data_[Cu1Mo1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0247]
_cell_length_b [5.1883]
_cell_length_c [5.5491]
_cell_... |
mp-1106026 | Y4Ga12Fe | data_[Y8Ga24Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5890]
_cell_length_b [8.5890]
_cell_length_c [8.5890]
_ce... |
mp-1220204 | NdCuNi4 | data_[Nd2Cu2Ni8]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9325]
_cell_length_b [8.6669]
_cell_length_c [4.0073]
_ce... |
mp-1217893 | TaNbAl6 | data_[Ta1Nb1Al6]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8566]
_cell_length_b [3.8566]
_cell_length_c [8.5975]
_... |
mp-1215582 | ZnNi4 | data_[Zn3Ni12]
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 [R-3m]
_cell_length_a [2.5290]
_cell_length_b [2.5290]
_cell_length_c [30.4583]
_cell_angle_alpha [90.0000]
_cell... |
mp-1078114 | ReCl6 | data_[Re3Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2490]
_cell_length_b [6.2490]
_cell_length_c [17.0658]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1220297 | Nd3(Ga2Si)2 | data_[Nd12Ga16Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1969]
_cell_length_b [4.2864]
_cell_length_c [43.4251]
... |
mp-1184143 | DyTm3 | data_[Dy2Tm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1253]
_cell_length_b [7.1253]
_cell_length_c [5.5741]
_cell_angle_alpha [90.0000]
_ce... |
mp-1225357 | DyAl7Fe5 | data_[Dy2Al14Fe10]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0170]
_cell_length_b [8.6576]
_cell_length_c [8.6362]
_... |
mp-1018162 | CeBiPt | data_[Ce4Bi4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8743]
_cell_length_b [6.8743]
_cell_length_c [6.8743]
_c... |
mp-11667 | Nd2(Zn2Ge)3 | data_[Nd2Zn6Ge3]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6831]
_cell_length_b [7.6831]
_cell_length_c [4.1111]
_c... |
mp-1228262 | Ba2Y2Mn4O11 | data_[Ba2Y2Mn4O11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1935]
_cell_length_b [3.8555... |
mp-35005 | Na3(WO3)4 | data_[Na6W8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.8806]
_cell_length_b [7.8806]
_cell_length_c [7.8806]
_cell... |
mp-569859 | MnTl2SnTe4 | data_[Mn2Tl4Sn2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Tl 1.6200 1.9000 1.3325
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 [8.6794]
_cell_length_b [8.... |
mp-1771 | NO2 | data_[N4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1965]
_cell_length_b [4.9511]
_cell_length_c [6.8445]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-569707 | BiSeBr | data_[Bi4Se4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5627]
_cell_length_b [4.1668]
_cell_length_c [11.0165]
_c... |
mp-561641 | Cs2Sn(AuS2)2 | data_[Cs16Sn8Au16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.2618]
_cell_length_b [14... |
mp-1184209 | GaPd3 | data_[Ga1Pd3]
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 [Pm-3m]
_cell_length_a [3.9289]
_cell_length_b [3.9289]
_cell_length_c [3.9289]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187097 | Sr2PdPt | data_[Sr8Pd4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4196]
_cell_length_b [7.4196]
_cell_length_c [7.4196]
_c... |
mp-865527 | YAl3 | data_[Y2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2741]
_cell_length_b [6.2741]
_cell_length_c [4.6319]
_cell_angle_alpha [90.0000]
_cell... |
mp-1023948 | TeMoSe | data_[Te2Mo2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4386]
_cell_length_b [3.4386]
_cell_length_c [24.3653]
_c... |
mp-761592 | Li3Fe2CoO6 | data_[Li6Fe4Co2O12]
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
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 [12.9056]
_cell_length_b [2.9... |
mp-10133 | Sc3BPb | data_[Sc3B1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6890]
_cell_length_b [4.6890]
_cell_length_c [4.6890]
_cel... |
mp-317 | SnRh | data_[Sn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [5.2130]
_cell_length_b [5.2130]
_cell_length_c [5.2130]
_cell_angle_alpha [90.0000]
_cell_... |
mp-511 | PrGe | data_[Pr4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5370]
_cell_length_b [11.2009]
_cell_length_c [4.0996]
_cell_angle_alpha [90.0000]
_cell_... |
mp-28746 | Pr3RuI3 | data_[Pr6Ru2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ru 2.2000 1.3000 0.6610
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4383]
_cell_length_b [4.3467]
_cell_length_c [12.6980]
_c... |
mp-867858 | ScUTc2 | data_[Sc4U4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
U 1.3800 1.7500 0.9913
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6020]
_cell_length_b [6.6020]
_cell_length_c [6.6020]
_cel... |
mp-753640 | BiRu2O7 | data_[Bi4Ru8O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [7.2218]
_cell_length_b [7.2707]
_cell_length_c [10.183... |
mp-559032 | GdMoClO4 | data_[Gd4Mo4Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4063]
_cell_length_b [7.4... |
mp-21494 | UCoSn | data_[U3Co3Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0474]
_cell_length_b [7.0474]
_cell_length_c [4.0481]
_cel... |
mp-7540 | Cu3P | data_[Cu6P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0548]
_cell_length_b [4.0548]
_cell_length_c [7.1512]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1984 | TaS2 | data_[Ta2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3421]
_cell_length_b [3.3421]
_cell_length_c [13.7602]
_cell_angle_alpha [90.0000]
_cel... |
mp-673825 | Ag3SI | data_[Ag6S2I2]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9332]
_cell_length_b [6.9382]
_cell_length_c [6.9920]
_cell_ang... |
mp-1222587 | Li5TlIn | data_[Li15Tl3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6990]
_cell_length_b [4.6990]
_cell_length_c [20.5942]
_c... |
mp-5887 | EuNiGe | data_[Eu4Ni4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1182]
_cell_length_b [6.1542]
_cell_length_c [7.5687]
_... |
mp-32308 | Ta2NiO6 | data_[Ta4Ni2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7774]
_cell_length_b [4.7774]
_cell_length_c [9.1779]
... |
mp-867244 | LiGdAu2 | data_[Li4Gd4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9160]
_cell_length_b [6.9160]
_cell_length_c [6.9160]
_c... |
mp-1959 | PuO2 | data_[Pu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3848]
_cell_length_b [5.3848]
_cell_length_c [5.3848]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1184380 | Gd2ZnAg | data_[Gd8Zn4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3116]
_cell_length_b [7.3116]
_cell_length_c [7.3116]
_c... |
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