Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1174188 | Li3MnCoO5 | data_[Li6Mn2Co2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9064]
_cell_length_b [7.770... |
mp-560791 | CsNaTiO3 | data_[Cs4Na4Ti4O12]
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
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0752]
_cell_length_b [11.3... |
mp-1103802 | TbWClO4 | data_[Tb4W4Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
W 2.3600 1.3500 0.7667
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 [10.4142]
_cell_length_b [7.392... |
mp-1520553 | KBaEuWO6 | data_[K4Ba4Eu4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a ... |
mp-1080594 | DyInCu | data_[Dy3In3Cu3]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4985]
_cell_length_b [7.4985]
_cell_length_c [3.9091]
_c... |
mp-1104872 | Cs3As2Cl9 | data_[Cs3As2Cl9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [7.5675]
_cell_length_b [7.5675]
_cell_length_c [9.1385]
_ce... |
mp-1228016 | BaEuS2 | data_[Ba1Eu1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4220]
_cell_length_b [4.4220]
_cell_length_c [6.2552]
_ce... |
mp-754585 | V2O5 | data_[V16O40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.8034]
_cell_length_b [19.7925]
_cell_length_c [5.8187]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-571336 | La4Pb3 | data_[La16Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.9245]
_cell_length_b [9.9245]
_cell_length_c [9.9245]
_cell_angle_alpha [90.0000]
_cel... |
mp-568931 | YbNiSb | data_[Yb4Ni4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3770]
_cell_length_b [6.3770]
_cell_length_c [6.3770]
_c... |
mp-1187865 | YTmRu2 | data_[Y4Tm4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7631]
_cell_length_b [6.7631]
_cell_length_c [6.7631]
_cel... |
mp-1206795 | SmFe2SiC | data_[Sm4Fe8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8479]
_cell_length_b [10.47... |
mp-1542774 | Mn3Zn2O8 | data_[Mn6Zn4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9955]
_cell_length_b [5.7809]
_cell_length_c [4.9734]
_cel... |
mp-1103634 | MnNiAs | data_[Mn4Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1666]
_cell_length_b [3.7786]
_cell_length_c [6.9866]
_ce... |
mp-27931 | Rb2SnO2 | data_[Rb8Sn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.8871]
_cell_length_b [7.6420]
_cell_length_c [11.4377... |
mp-625094 | Cd(HO)2 | data_[Cd2H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5056]
_cell_length_b [5.7661]
_cell_length_c [6.1271]
_cell_ang... |
mp-22797 | EuPt2 | data_[Eu8Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.8313]
_cell_length_b [7.8313]
_cell_length_c [7.8313]
_cell_angle_alpha [90.0000]
_cell... |
mp-1087547 | EuCu | data_[Eu4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7643]
_cell_length_b [4.4092]
_cell_length_c [5.9313]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1206894 | Lu3AlC | data_[Lu3Al1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7476]
_cell_length_b [4.7476]
_cell_length_c [4.7476]
_cel... |
mp-1018761 | Li3CeSb2 | data_[Li3Ce1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6017]
_cell_length_b [4.6017]
_cell_length_c [7.3677]
_c... |
mp-998601 | KCaCl3 | data_[K2Ca2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6457]
_cell_length_b [7.6486]
_cell_length_c [5.4065]
_cell_a... |
mp-1225553 | Dy2CoGe4 | data_[Dy4Co2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1364]
_cell_length_b [4.1409]
_cell_length_c [15.8218]
_c... |
mp-866145 | Lu2AgIr | data_[Lu8Ag4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8919]
_cell_length_b [6.8919]
_cell_length_c [6.8919]
_c... |
mp-1212041 | In2CuS4 | data_[In16Cu8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Fd-3m]
_cell_length_a [10.6044]
_cell_length_b [10.6044]
_cell_length_c [10.6044]... |
mp-567076 | Li2BiAu | data_[Li8Bi4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8130]
_cell_length_b [6.8130]
_cell_length_c [6.8130]
_c... |
mp-38593 | Sm2AsSe | data_[Sm8As4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.9298]
_cell_length_b [5.9298]
_cell_length_c [11.8932... |
mp-1343 | NdNi2 | data_[Nd8Ni16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3028]
_cell_length_b [7.3028]
_cell_length_c [7.3028]
_cell_angle_alpha [90.0000]
_cell... |
mp-4755 | Sc3Fe2Si3 | data_[Sc12Fe8Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9472]
_cell_length_b [9.9278]
_cell_length_c [12.8957]
... |
mvc-14582 | WF4 | data_[W2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2014]
_cell_length_b [5.6425]
_cell_length_c [6.3342]
_cell_angle_alpha [106.3998]
_cell_angle_... |
mp-1217887 | TaTi | data_[Ta2Ti2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.2944]
_cell_length_b [4.6064]
_cell_length_c [4.6597]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1222431 | Lu(CrFe5)2 | data_[Lu2Cr4Fe20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6704]
_cell_length_b [8.3011]
_cell_length_c [8.3933]
_c... |
mp-867878 | AlFe2Si | data_[Al4Fe8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6054]
_cell_length_b [5.6054]
_cell_length_c [5.6054]
_c... |
mp-1079832 | ScTe | data_[Sc4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1173]
_cell_length_b [4.1173]
_cell_length_c [13.8435]
_cell_angle_alpha [90.0000]
_c... |
mp-1217960 | TaBeB | data_[Ta1Be1B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2607]
_cell_length_b [3.2607]
_cell_length_c [3.2622]
_cel... |
mp-1218538 | Sr4Zn(IrO4)3 | data_[Sr4Zn1Ir3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6431]
_cell_length_b [5.674... |
mp-1209378 | Pr4OsI5 | data_[Pr8Os2I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Os 2.2000 1.3000 0.6730
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0840]
_cell_length_b [4.3085]
_cell_length_c [9.3773]
_ce... |
mp-556369 | CdHg2SeO6 | data_[Cd2Hg4Se2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
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 [7.0229]
_cell_length_b [7.354... |
mp-9853 | LuP5 | data_[Lu2P10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9055]
_cell_length_b [9.3254]
_cell_length_c [5.2957]
_cell_angle_alpha [90.0000]
_cell_... |
mp-555769 | ScBiO3 | data_[Sc8Bi8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9809]
_cell_length_b [5.8936]
_cell_length_c [10.1426]
_ce... |
mp-980082 | YHo3 | data_[Y1Ho3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0136]
_cell_length_b [5.0136]
_cell_length_c [5.0136]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1217785 | Ta2(SiMo)3 | data_[Ta8Si12Mo12]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.7452]
_cell_length_b [9.8527]
_cell_length_c [5.0413]
_... |
mp-1176576 | LiTiCoO4 | data_[Li4Ti4Co4O16]
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 [Imma]
_cell_length_a [5.9336]
_cell_length_b [5.98... |
mp-7247 | CeZn3Cu2 | data_[Ce1Zn3Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2270]
_cell_length_b [5.2270]
_cell_length_c [4.2244]
_... |
mp-1217344 | Th2SiGe | data_[Th4Si2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2602]
_cell_length_b [5.9451]
_cell_length_c [7.9292]
_... |
mp-760539 | Li2Ti3O6 | data_[Li4Ti6O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1024]
_cell_length_b [8.8209]
_cell_length_c [5.2746]
_cel... |
mp-755265 | Li2MnCo3O8 | data_[Li4Mn2Co6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7745]
_cell_length_b [5.69... |
mp-680690 | LaCu3(RuO3)4 | data_[La2Cu6Ru8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.5454]
_cell_length_b [7.54... |
mp-981 | SrF2 | data_[Sr4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8659]
_cell_length_b [5.8659]
_cell_length_c [5.8659]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-979267 | Ta2FeMo | data_[Ta8Fe4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3039]
_cell_length_b [6.3039]
_cell_length_c [6.3039]
_c... |
mp-24423 | SrHBr | data_[Sr2H2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2259]
_cell_length_b [4.2259]
_cell_length_c [7.5335]
_ce... |
mp-765675 | Na2Ni3O5 | data_[Na4Ni6O10]
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-1]
_cell_length_a [5.1704]
_cell_length_b [6.1148]
_cell_length_c [6.9237]
_cell... |
mp-1217134 | Ti3VS4 | data_[Ti3V1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6102]
_cell_length_b [3.2508]
_cell_length_c [6.3754]
_cell_a... |
mp-1101361 | V4CoCuO12 | data_[V8Co2Cu2O24]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.7761]
_cell_length_b [8.8282]
... |
mp-1227856 | Ca3Ti4PbO12 | data_[Ca3Ti4Pb1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4780]
_cell_length_b [7.7888... |
mp-1101736 | LiFe3O4 | data_[Li1Fe3O8]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.0619]
_cell_length_b [5.1763]
_cell_length_c [5.2106]
_cell_a... |
mp-22645 | PrSnPd | data_[Pr4Sn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6018]
_cell_length_b [4.7394]
_cell_length_c [8.0690]
_ce... |
mp-7667 | K2S3 | data_[K8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.3442]
_cell_length_b [10.2284]
_cell_length_c [7.5876]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-8651 | Gd(AlSi)2 | data_[Gd1Al2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2044]
_cell_length_b [4.2044]
_cell_length_c [6.6172]
_c... |
mp-1080534 | Cs2Li3I5 | data_[Cs4Li6I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9598]
_cell_length_b [4.7482]
_cell_length_c [11.2051]
_c... |
mp-1224331 | Hf4AgPd | data_[Hf4Ag1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2440]
_cell_length_b [3.2440]
_cell_length_c [11.4867]
... |
mp-1219289 | Si4Ni9B2 | data_[Si8Ni18B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.6616]
_cell_length_b [8.6616]
_cell_length_c [4.1629]
_ce... |
mp-1215496 | ZnCdAg2 | data_[Zn1Cd1Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2088]
_cell_length_b [3.2088]
_cell_length_c [6.9519]
_... |
mp-1229015 | AgPt | data_[Ag3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8304]
_cell_length_b [2.8304]
_cell_length_c [14.2663]
_cell_angle_alpha [90.0000]
_cell_... |
mp-18981 | Sr2CaWO6 | data_[Sr8Ca4W4O24]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3752]
_cell_length_b [8.375... |
mp-20145 | TiGaCo2 | data_[Ti4Ga4Co8]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8368]
_cell_length_b [5.8368]
_cell_length_c [5.8368]
_c... |
mp-1009545 | PaN | data_[Pa4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.9556]
_cell_length_b [4.9556]
_cell_length_c [4.9556]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-28522 | Gd2CBr | data_[Gd4C2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.7306]
_cell_length_b [3.7306]
_cell_length_c [14.3971]
... |
mp-1103295 | AlF3 | data_[Al3F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [5.1195]
_cell_length_b [5.1195]
_cell_length_c [6.3495]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-214 | ZrRu | data_[Zr1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.2824]
_cell_length_b [3.2824]
_cell_length_c [3.2824]
_cell_angle_alpha [90.0000]
_cell_... |
mp-11170 | KCeSiS4 | data_[K2Ce2Si2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5777]
_cell_length_b [6.606... |
mp-3179 | Tb3(CuSi)4 | data_[Tb6Cu8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1588]
_cell_length_b [6.5581]
_cell_length_c [13.7684]
_c... |
mp-1205542 | Rb2NaTbF6 | data_[Rb8Na4Tb4F24]
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
Tb 1.1000 1.7500 0.9815
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0049]
_cell_length_b [9.0... |
mp-20202 | MgSn4Ru | data_[Mg4Sn16Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.8433]
_cell_length_b [6.8433]
_cell_length_c [11.3884]... |
mp-862847 | PaB3 | data_[Pa2B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4525]
_cell_length_b [5.4525]
_cell_length_c [3.4396]
_cell_angle_alpha [90.0000]
_cell... |
mp-1102518 | Tm3(CuSi)4 | data_[Tm6Cu8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0894]
_cell_length_b [6.4902]
_cell_length_c [13.5238]
_c... |
mp-1214050 | Ca4ErB3O10 | data_[Ca8Er2B6O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1310]
_cell_length_b [16.1003]... |
mp-567789 | InI3 | data_[In4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.3227]
_cell_length_b [6.6507]
_cell_length_c [12.9104]
_cell_angle_alpha [90.0000]
_cel... |
mp-866143 | TiBeRh2 | data_[Ti4Be4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9303]
_cell_length_b [5.9303]
_cell_length_c [5.9303]
_c... |
mp-1025540 | MnCu2SiTe4 | data_[Mn2Cu4Si2Te8]
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
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.0784]
_cell_length_b [6.... |
mp-1209314 | Rb3TmV2O8 | data_[Rb3Tm1V2O8]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0339]
_cell_length_b [6.0339... |
mp-861604 | Ca2TlPb | data_[Ca8Tl4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8591]
_cell_length_b [7.8591]
_cell_length_c [7.8591]
_c... |
mp-972626 | SmGaAu2 | data_[Sm4Ga4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9691]
_cell_length_b [6.9691]
_cell_length_c [6.9691]
_c... |
mp-1215751 | Zr10(IrPt)3 | data_[Zr10Ir3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1882]
_cell_length_b [8.1882]
_cell_length_c [5.5153]
_... |
mp-1226751 | CeCoGe2Ru | data_[Ce2Co2Ge4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1441]
_cell_length_b [4.... |
mp-9579 | AlTlSe2 | data_[Al4Tl4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.2629]
_cell_length_b [8.2629]
_cell_length_c [6.4351]
_... |
mp-1221395 | Na(NbS2)2 | data_[Na1Nb2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4098]
_cell_length_b [3.4098]
_cell_length_c [14.3202]
_cel... |
mp-30820 | Li2AlRh | data_[Li8Al4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0089]
_cell_length_b [6.0089]
_cell_length_c [6.0089]
_c... |
mp-862891 | PmCdAu2 | data_[Pm4Cd4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1125]
_cell_length_b [7.1125]
_cell_length_c [7.1125]
_c... |
mp-997034 | BaCuO2 | data_[Ba4Cu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0208]
_cell_length_b [16.6461]
_cell_length_c [4.0957]
_cel... |
mp-1177921 | Li2MnF4 | data_[Li4Mn2F8]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9724]
_cell_length_b [5.3858]
_cell_length_c [5.5195]
_ce... |
mp-1190187 | Nd2Ni7 | data_[Nd12Ni42]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0347]
_cell_length_b [5.0347]
_cell_length_c [36.6119]
_cell_angle_alpha [90.0000]
_cel... |
mp-865299 | TmZnRh2 | data_[Tm4Zn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
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 [6.4167]
_cell_length_b [6.4167]
_cell_length_c [6.4167]
_c... |
mp-1215792 | ZnCu2SnSeS3 | data_[Zn1Cu2Sn1Se1S3]
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
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a ... |
mp-1224448 | GeTe4Pb3 | data_[Ge1Te4Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5638]
_cell_length_b [4.5638]
_cell_length_c [12.9166]
... |
mp-1219462 | SbTe2 | data_[Sb1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4545]
_cell_length_b [4.4545]
_cell_length_c [5.6274]
_cell_angle_alpha [90.0000]
_cell_... |
mp-11820 | BaNa2 | data_[Ba4Na8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3118]
_cell_length_b [7.3118]
_cell_length_c [11.8574]
_cell_angle_alpha [90.0000]
_c... |
mp-672254 | CaPdPb | data_[Ca3Pd3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.0383]
_cell_length_b [8.0383]
_cell_length_c [3.8670]
_c... |
mp-1078132 | La2Fe(SeO)2 | data_[La4Fe2Se4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5900]
_cell_length_b [3.99... |
mp-27714 | H3OF | data_[H12O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4337]
_cell_length_b [4.1827]
_cell_length_c [6.2832]
_cell_an... |
mp-1206319 | RbCoBr3 | data_[Rb2Co2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.4925]
_cell_length_b [7.4925]
_cell_length_c [6.2183]... |
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