Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-755568 | GaBiO3 | data_[Ga6Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.5850]
_cell_length_b [5.5850]
_cell_length_c [13.8878]
_cel... |
mp-1096882 | Cr3N2 | data_[Cr18N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [4.7208]
_cell_length_b [4.7208]
_cell_length_c [14.2890]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183305 | BaSrHg2 | data_[Ba4Sr4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2551]
_cell_length_b [8.2551]
_cell_length_c [8.2551]
_c... |
mp-1221656 | MnAl2Ni | data_[Mn1Al2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8045]
_cell_length_b [2.8045]
_cell_length_c [6.4069]
_... |
mp-632286 | Sb | data_[Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.1646]
_cell_length_b [4.3438]
_cell_length_c [4.4077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6596]
_cell_angl... |
mp-1216765 | V2Co9W | data_[V6Co27W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0144]
_cell_length_b [5.0144]
_cell_length_c [18.2511]
_cell_... |
mp-1185750 | Mg2AgHg | data_[Mg8Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [6.8136]
_cell_length_b [6.8136]
_cell_length_c [6.8136]
_c... |
mp-1222453 | LiLa4CuO8 | data_[Li2La8Cu2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5368]
_cell_length_b [3.8... |
mp-1095673 | CrCoSi | data_[Cr4Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7556]
_cell_length_b [3.6007]
_cell_length_c [6.7172]
_ce... |
mp-1221275 | Na2Zn3GeAs4 | data_[Na4Zn6Ge2As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.6613]
_cell_length_b [4.13... |
mp-1103567 | Zr4NiP | data_[Zr8Ni2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.4826]
_cell_length_b [6.4826]
_cell_length_c [5.3554]
_ce... |
mp-1227325 | BaSrMgTeO6 | data_[Ba4Sr4Mg4Te4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-6732 | La2MgIrO6 | data_[La4Mg2Ir2O12]
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
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 [5.5984]
_cell_length_b [5.... |
mp-768221 | YBiO3 | data_[Y6Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [6.0267]
_cell_length_b [6.0267]
_cell_length_c [15.2709]
_cell_... |
mp-21419 | CeMg2 | data_[Ce8Mg16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.6251]
_cell_length_b [8.6251]
_cell_length_c [8.6251]
_cell_angle_alpha [90.0000]
_cell... |
mp-11258 | TbAu | data_[Tb1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6221]
_cell_length_b [3.6221]
_cell_length_c [3.6221]
_cell_angle_alpha [90.0000]
_cell_... |
mp-850956 | Li2Mn3Cr3O12 | data_[Li2Mn3Cr3O12]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1171]
_cell_length_b [8.80... |
mp-849731 | LiTiV2O6 | data_[Li2Ti2V4O12]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5472]
_cell_length_b [3.0246]... |
mp-559847 | Ag5P(S2Cl)2 | data_[Ag10P2S8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.4875]
_cell_length_b [11.244... |
mp-1106203 | Ce(Tl3Te2)3 | data_[Ce2Tl18Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.0755]
_cell_length_b [9.0755]
_cell_length_c [13.6607]
... |
mp-754382 | He | data_[He1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
He 4.16 1.4 0.0000
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [2.7154]
_cell_length_b [2.7154]
_cell_length_c [2.4712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gam... |
mp-560262 | Zn(InS2)2 | data_[Zn2In4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.9248]
_cell_length_b [3.9248]
_cell_length_c [25.3096]
_c... |
mp-21521 | Cs2PbO3 | data_[Cs8Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6061]
_cell_length_b [7.9020]
_cell_length_c [6.2116]
_... |
mp-1018020 | NiAgSe2 | data_[Ni3Ag3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6413]
_cell_length_b [3.6413]
_cell_length_c [20.7610]
_ce... |
mp-570558 | Rb2NbCl6 | data_[Rb4Nb2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nb 1.6000 1.4500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.3669]
_cell_length_b [7.3669]
_cell_length_c [10.0999]... |
mp-1227213 | Ce4UC10 | data_[Ce8U2C20]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7315]
_cell_length_b [6.2303]
_cell_length_c [18.5435]
_cell... |
mvc-16572 | CaMoO3 | data_[Ca4Mo4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5048]
_cell_length_b [5.7303]
_cell_length_c [7.9862]
_cell... |
mp-864657 | HoI3 | data_[Ho2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [11.7571]
_cell_length_b [11.7571]
_cell_length_c [3.9781]
_cell_angle_alpha [90.0000]
_ce... |
mp-865730 | TiZnAu2 | data_[Ti4Zn4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4470]
_cell_length_b [6.4470]
_cell_length_c [6.4470]
_c... |
mp-1177618 | Li3MnCr3O8 | data_[Li9Mn3Cr9O24]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9161]
_cell_length_b [5.91... |
mp-1211294 | La3NbSb5 | data_[La6Nb2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5741]
_cell_length_b [9.5741]
_cell_length_c [6.3249... |
mp-37045 | Ce2SmS4 | data_[Ce8Sm4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.5069]
_cell_length_b [8.5069]
_cell_length_c [8.5782]
_ce... |
mp-753776 | Li4SbS4 | data_[Li16Sb4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.3986]
_cell_length_b [9.0426]
_cell_length_c [8.0018]
_c... |
mp-1668 | YbAu2 | data_[Yb2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7498]
_cell_length_b [3.7498]
_cell_length_c [9.0877]
_cell_angle_alpha [90.0000]
_cell... |
mp-867270 | Be2CoPt | data_[Be8Co4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4527]
_cell_length_b [5.4527]
_cell_length_c [5.4527]
_c... |
mp-16180 | Na6S2O9 | data_[Na24S8O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7830]
_cell_length_b [9.7830]
_cell_length_c [9.7830]
_cel... |
mp-1094439 | MgZn2 | data_[Mg4Zn8]
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 [Cmcm]
_cell_length_a [2.9541]
_cell_length_b [14.8065]
_cell_length_c [4.6424]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30354 | ScAg4 | data_[Sc2Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.6878]
_cell_length_b [6.6878]
_cell_length_c [4.1187]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1080622 | KRhF6 | data_[K3Rh3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.5177]
_cell_length_b [7.5177]
_cell_length_c [7.3461]
_cell_a... |
mp-30349 | Li2AgPb | data_[Li8Ag4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7703]
_cell_length_b [6.7703]
_cell_length_c [6.7703]
_c... |
mp-1221781 | MnInCuTe3 | data_[Mn2In2Cu2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7424]
_cell_length_b [4.47... |
mp-866153 | TiAlRh2 | data_[Ti4Al4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1283]
_cell_length_b [6.1283]
_cell_length_c [6.1283]
_c... |
mp-776323 | Li2V5NiO12 | data_[Li4V10Ni2O24]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.8908]
_cell_length_b [8.6104... |
mp-1220006 | Pr(InCu)6 | data_[Pr2In12Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5942]
_cell_length_b [9.2390]
_cell_length_c [9.3115]
_... |
mvc-15272 | Ca2CoN2 | data_[Ca8Co4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7950]
_cell_length_b [4.9479]
_cell_length_c [6.7112]
_cel... |
mp-1190311 | NaH2(SO2)2 | data_[Na4H8S8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [15.0866]
_cell_length_b [6.4886]
_... |
mp-1070844 | ThPt2 | data_[Th4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2015]
_cell_length_b [4.2015]
_cell_length_c [14.5240]
_cell_angle_alpha [90.0000]
_cel... |
mp-30244 | Mg2H2O3 | data_[Mg2H2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0996]
_cell_length_b [3.0996]
_cell_length_c [7.5370]
_cell_... |
mp-1189549 | LiH2N | data_[Li16H32N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.8518]
_cell_length_b [6.9089]
_cell_length_c [10.7267]
_ce... |
mp-541150 | BaMn4O8 | data_[Ba2Mn8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.7802]
_cell_length_b [9.7802]
_cell_length_c [3.1642]
_cel... |
mp-1220096 | NdTiFe11C | data_[Nd2Ti2Fe22C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9547]
_cell_length_b [8.56... |
mp-9676 | K2NaGaAs2 | data_[K8Na4Ga4As8]
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
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.8013]
_cell_length_b [15.06... |
mp-1224007 | K2NaMo(OF)3 | data_[K8Na4Mo4O12F12]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a ... |
mp-1293376 | FeRe(PbO3)2 | data_[Fe2Re2Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [5.6864]
_cell_length_b [5.6864... |
mp-998429 | NiAgF3 | data_[Ni4Ag4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0489]
_cell_length_b [10.9290]
_cell_length_c [7.6339]
_ce... |
mp-1185393 | LiLuRh2 | data_[Li4Lu4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3416]
_cell_length_b [6.3416]
_cell_length_c [6.3416]
_c... |
mp-1179515 | Sc3RuC4 | data_[Sc12Ru4C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8601]
_cell_length_b [4.5008]
_cell_length_c [6.6609]
_c... |
mp-1103290 | Mg(BH4)2 | data_[Mg1B2H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2770]
_cell_length_b [4.2770]
_cell_length_c [5.3659]
_cell_... |
mp-1017981 | Hg | data_[Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [3.9310]
_cell_length_b [3.9310]
_cell_length_c [3.9310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1186338 | NdTmIn2 | data_[Nd4Tm4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6068]
_cell_length_b [7.6068]
_cell_length_c [7.6068]
_c... |
mp-12802 | AlCu3 | data_[Al2Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2399]
_cell_length_b [5.1815]
_cell_length_c [4.5143]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-763609 | Li4Mn5O10 | data_[Li4Mn5O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1938]
_cell_length_b [5.2362]
_cell_length_c [7.9875]
_cell_... |
mp-866116 | HoTaRu2 | data_[Ho4Ta4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [6.5332]
_cell_length_b [6.5332]
_cell_length_c [6.5332]
_c... |
mp-555358 | Ba2UCu2S5 | data_[Ba4U2Cu4S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7222]
_cell_length_b [4.073... |
mp-780883 | Mn3(OF2)2 | data_[Mn12O8F16]
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 [C2/m]
_cell_length_a [9.1104]
_cell_length_b [7.2096]
_cell_length_c [7.1432]
_cell... |
mp-1222671 | Li2CdIn | data_[Li8Cd4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8054]
_cell_length_b [6.8054]
_cell_length_c [6.8054]
_c... |
mp-983229 | Pm2ZnRh | data_[Pm8Zn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1848]
_cell_length_b [7.1848]
_cell_length_c [7.1848]
_c... |
mvc-16811 | LiMn2O4 | data_[Li1Mn2O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0623]
_cell_length_b [2.9882]
_cell_length_c [5.2737]
_cell... |
mp-1103015 | TmFe3 | data_[Tm9Fe27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0605]
_cell_length_b [5.0605]
_cell_length_c [24.0386]
_cell_angle_alpha [90.0000]
_cell... |
mp-1219188 | Sm2NiGe3 | data_[Sm2Ni1Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1640]
_cell_length_b [4.2218]
_cell_length_c [7.1468]
_ce... |
mp-159 | Nd | data_[Nd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2158]
_cell_length_b [5.2158]
_cell_length_c [5.2158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-2694 | LaAl2 | data_[La8Al16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.1432]
_cell_length_b [8.1432]
_cell_length_c [8.1432]
_cell_angle_alpha [90.0000]
_cell... |
mp-1223095 | La2Ti3(BiO6)2 | data_[La8Ti12Bi8O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.4508]
_cell_length_b [33.... |
mp-19086 | BaCoO2 | data_[Ba3Co3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [5.9143]
_cell_length_b [5.9143]
_cell_length_c [6.8939]
_ce... |
mp-754556 | Nb3N5 | data_[Nb12N20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9200]
_cell_length_b [10.4152]
_cell_length_c [10.4014]
_cell_angle_alpha [90.0000]
_cell... |
mp-569696 | La(AlGa)2 | data_[La2Al4Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2944]
_cell_length_b [4.2944]
_cell_length_c [11.1783]
... |
mp-1185121 | LaZn3 | data_[La2Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6277]
_cell_length_b [6.6277]
_cell_length_c [4.4636]
_cell_angle_alpha [90.0000]
_ce... |
mp-755142 | La2MgO4 | data_[La8Mg4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.5714]
_cell_length_b [12.4765]
_cell_length_c [5.6702]
_ce... |
mp-25405 | LiCuPO4F | data_[Li2Cu2P2O8F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.... |
mp-1209526 | PrBPt2 | data_[Pr3B3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.5220]
_cell_length_b [5.5220]
_cell_length_c [7.9940]
_ce... |
mp-1186508 | Pm2InSn | data_[Pm8In4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7185]
_cell_length_b [7.7185]
_cell_length_c [7.7185]
_c... |
mp-1247173 | Mg2Mn3AlS8 | data_[Mg6Mn9Al3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2922]
_cell_length_b [7.29... |
mp-1223096 | La2TiCo16 | data_[La6Ti3Co48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4774]
_cell_length_b [8.4774]
_cell_length_c [12.3133]
_c... |
mp-571249 | Tb | data_[Tb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5761]
_cell_length_b [3.5761]
_cell_length_c [17.3671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
mp-864734 | HfInPd2 | data_[Hf4In4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5977]
_cell_length_b [6.5977]
_cell_length_c [6.5977]
_c... |
mp-1187348 | TbHoRh2 | data_[Tb4Ho4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8603]
_cell_length_b [6.8603]
_cell_length_c [6.8603]
_c... |
mp-23353 | Cu2HgI4 | data_[Cu4Hg2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2058]
_cell_length_b [6.2058]
_cell_length_c [12.5850]
_ce... |
mp-2090 | FeCo | data_[Fe1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [2.8434]
_cell_length_b [2.8434]
_cell_length_c [2.8434]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217476 | TbSi2IrRh | data_[Tb2Si4Ir2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0818]
_cell_length_b [4.... |
mp-1232213 | YSe2 | data_[Y4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0928]
_cell_length_b [5.7052]
_cell_length_c [13.4201]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1186713 | Pr3Dy | data_[Pr6Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3724]
_cell_length_b [7.3724]
_cell_length_c [6.0321]
_cell_angle_alpha [90.0000]
_ce... |
mp-1226069 | Co3SiMo2 | data_[Co6Si2Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7688]
_cell_length_b [4.7688]
_cell_length_c [7.4005]... |
mp-1208115 | V2NO5 | data_[V8N4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6616]
_cell_length_b [3.6649]
_cell_length_c [11.6552]
_cell_... |
mp-23206 | BiPd | data_[Bi8Pd8]
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
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7343]
_cell_length_b [10.8522]
_cell_length_c [5.7502]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187320 | Tb5Mg | data_[Tb10Mg2]
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 [Amm2]
_cell_length_a [5.6408]
_cell_length_b [3.5932]
_cell_length_c [18.2865]
_cell_angle_alpha [90.0000]
_cell... |
mp-866009 | DyZrRu2 | data_[Dy4Zr4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6738]
_cell_length_b [6.6738]
_cell_length_c [6.6738]
_c... |
mp-1219358 | ScAlFe | data_[Sc8Al8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3693]
_cell_length_b [5.2078]
_cell_length_c [8.8235]
_ce... |
mp-753230 | LiFe(CO3)2 | data_[Li4Fe4C8O24]
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
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.5906]
_cell_length_b [10.9881]... |
mp-862560 | Cu3Mo2(HO5)2 | data_[Cu3Mo2H2O10]
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
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 [5.4027]
_cell_length_b [5.6863]... |
mp-1113480 | Cs2AgMoCl6 | data_[Cs8Ag4Mo4Cl24]
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
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 [10.5280]
_cell_length_b [... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.