Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1173955 | 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 [5.0905]
_cell_length_b [5.864... |
mp-1113728 | Rb2AgMoBr6 | data_[Rb8Ag4Mo4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9562]
_cell_length_b [... |
mp-980004 | SmGa2Co | data_[Sm4Ga8Co4]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1265]
_cell_length_b [17.7933]
_cell_length_c [4.0891]
_c... |
mp-1186 | ZrS2 | data_[Zr1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6909]
_cell_length_b [3.6909]
_cell_length_c [6.6111]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1206889 | YCCl | data_[Y4C4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8917]
_cell_length_b [3.7759]
_cell_length_c [9.6222]
_cell_a... |
mp-567483 | CdI2 | data_[Cd6I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3314]
_cell_length_b [4.3314]
_cell_length_c [44.4848]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20175 | Sc2InC | data_[Sc4In2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3525]
_cell_length_b [3.3525]
_cell_length_c [15.3910]
... |
mp-980054 | YbPbAu2 | data_[Yb4Pb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1660]
_cell_length_b [7.1660]
_cell_length_c [7.1660]
_c... |
mp-20819 | ErGePd2 | data_[Er4Ge4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3284]
_cell_length_b [7.1537]
_cell_length_c [5.6041]
_ce... |
mvc-7040 | Re2O7 | data_[Re8O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [16.9415]
_cell_length_b [7.1144]
_cell_length_c [6.9514]
_cell_angle_alpha [90.0000]
_cell... |
mp-12751 | PuNi | data_[Pu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7407]
_cell_length_b [10.3797]
_cell_length_c [3.9834]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1023503 | Mg15Ga | data_[Mg15Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3611]
_cell_length_b [6.3611]
_cell_length_c [10.2328]
_cell_angle_alpha [90.0000]
_cel... |
mp-20321 | UGeRh | data_[U4Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4062]
_cell_length_b [4.5001]
_cell_length_c [7.7081]
_cell... |
mp-1207153 | Gd3GaC | data_[Gd3Ga1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ga 1.8100 1.3000 0.7600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9144]
_cell_length_b [4.9144]
_cell_length_c [4.9144]
_cel... |
mp-5106 | TbCoC2 | data_[Tb2Co2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.5998]
_cell_length_b [4.5136]
_cell_length_c [6.0061]
_cell... |
mp-1095493 | CdSe2 | data_[Cd4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.7469]
_cell_length_b [6.7469]
_cell_length_c [6.7469]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1208997 | Sc2TiB2Ir5 | data_[Sc4Ti2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3886]
_cell_length_b [9.... |
mp-1184981 | Li2NdPb | data_[Li8Nd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0289]
_cell_length_b [7.0289]
_cell_length_c [7.0289]
_c... |
mp-1106191 | Gd(BIr)4 | data_[Gd2B8Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.6725]
_cell_length_b [7.6725]
_cell_length_c [3.9855]
_ce... |
mp-995147 | PbBrCl | data_[Pb2Br2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.7031]
_cell_length_b [4.7031]
_cell_length_c [7.9024]
_... |
mp-1101870 | TiFeP | data_[Ti4Fe4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0023]
_cell_length_b [3.6176]
_cell_length_c [6.7950]
_cell... |
mp-867675 | GaHO2 | data_[Ga4H4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.5715]
_cell_length_b [3.0549]
_cell_length_c [3.8217]
_cell_... |
mp-29742 | NdSi2Rh3 | data_[Nd1Si2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5978]
_cell_length_b [5.5978]
_cell_length_c [3.6871]
_... |
mp-1184914 | Li2EuIn | data_[Li8Eu4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1609]
_cell_length_b [7.1609]
_cell_length_c [7.1609]
_c... |
mp-1183472 | CaAcGa2 | data_[Ca4Ac4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6458]
_cell_length_b [7.6458]
_cell_length_c [7.6458]
_c... |
mp-975359 | Rb(FeAs)2 | data_[Rb2Fe4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7568]
_cell_length_b [3.7568]
_cell_length_c [14.4878]
... |
mp-752666 | LiAg2F4 | data_[Li8Ag16F32]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.3477]
_cell_length_b [10.3463]
_cell_length_c [12.4223]
_... |
mp-1185183 | LaCeHg2 | data_[La4Ce4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7164]
_cell_length_b [7.7164]
_cell_length_c [7.7164]
_c... |
mp-1185603 | LaSmMg2 | data_[La4Sm4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8210]
_cell_length_b [7.8210]
_cell_length_c [7.8210]
_c... |
mp-1094568 | LiMg | data_[Li4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3942]
_cell_length_b [3.0882]
_cell_length_c [5.3552]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865226 | LuMgHg2 | data_[Lu4Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1087]
_cell_length_b [7.1087]
_cell_length_c [7.1087]
_c... |
mp-30060 | Sn5(BRh3)2 | data_[Sn5B2Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6773]
_cell_length_b [6.6773]
_cell_length_c [5.6322]
_cel... |
mp-1208634 | SrLiCrF6 | data_[Sr2Li2Cr2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.2872]
_cell_length_b [5.2... |
mp-1187684 | YbEuAg2 | data_[Yb4Eu4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4701]
_cell_length_b [7.4701]
_cell_length_c [7.4701]
_c... |
mp-1869 | GaPd2 | data_[Ga4Pd8]
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 [Pnma]
_cell_length_a [5.5904]
_cell_length_b [4.1026]
_cell_length_c [7.9085]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1189104 | Eu3(GaP2)2 | data_[Eu12Ga8P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9339]
_cell_length_b [10.1159]
_cell_length_c [6.5658]
_... |
mp-1213092 | CuSnPd2 | data_[Cu4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.9807]
_cell_length_b [7.9807]
_cell_length_c [3.9744]
_... |
mp-1211432 | LaVSb3 | data_[La4V4Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.4256]
_cell_length_b [6.3156]
_cell_length_c [6.1519]
_ce... |
mp-1207158 | Sm2Ge6Pd | data_[Sm4Ge12Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1557]
_cell_length_b [4.1025]
_cell_length_c [22.2624]
_... |
mp-989516 | Cs2ICl6F | data_[Cs8I4Cl24F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6716]
_cell_length_b [10.6... |
mp-984768 | DyHoIr2 | data_[Dy4Ho4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8458]
_cell_length_b [6.8458]
_cell_length_c [6.8458]
_c... |
mp-555403 | K3WF6 | data_[K12W4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
W 2.3600 1.3500 0.7667
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2343]
_cell_length_b [9.2343]
_cell_length_c [9.2343]
_cell_... |
mp-505712 | CsHoZnSe3 | data_[Cs4Ho4Zn4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1717]
_cell_length_b [16... |
mp-754424 | Li4NbNi3O8 | data_[Li12Nb3Ni9O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9498]
_cell_length_b [5.9... |
mp-1113548 | Rb2HgBiCl6 | data_[Rb8Hg4Bi4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1829]
_cell_length_b [... |
mp-1220714 | NaLaS2 | data_[Na3La3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2361]
_cell_length_b [4.2361]
_cell_length_c [19.8535]
_cel... |
mp-1217298 | Th5C | data_[Th15C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5871]
_cell_length_b [3.5871]
_cell_length_c [45.0414]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104159 | Sm5Ru2 | data_[Sm20Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1536]
_cell_length_b [6.5111]
_cell_length_c [7.3695]
_cell_angle_alpha [90.0000]
_cell... |
mp-1001019 | Mg(ScSe2)2 | data_[Mg8Sc16Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.2253]
_cell_length_b [11.2253]
_cell_length_c [11.225... |
mp-3042 | K2SiF6 | data_[K8Si4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Si 1.9000 1.1000 0.5400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2496]
_cell_length_b [8.2496]
_cell_length_c [8.2496]
_cell... |
mp-756027 | Li4Cr(WO4)3 | data_[Li4Cr1W3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.0227]
_cell_length_b [8.6367]
... |
mp-1112681 | Cs2LiLaCl6 | data_[Cs8Li4La4Cl24]
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
La 1.1000 1.9500 1.1720
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8548]
_cell_length_b [... |
mp-1220341 | Nd2Ge3Ir | data_[Nd2Ge3Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1770]
_cell_length_b [4.3580]
_cell_length_c [7.3607]
_ce... |
mp-20878 | PbO | data_[Pb4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.1476]
_cell_length_b [5.7284]
_cell_length_c [4.8168]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-864809 | AcZn3 | data_[Ac2Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9361]
_cell_length_b [6.9361]
_cell_length_c [4.4277]
_cell_angle_alpha [90.0000]
_ce... |
mp-862365 | Sc2OsPd | data_[Sc8Os4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Os 2.2000 1.3000 0.6730
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5202]
_cell_length_b [6.5202]
_cell_length_c [6.5202]
_c... |
mp-1205685 | Ba2YZrO6 | data_[Ba8Y4Zr4O24]
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
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7194]
_cell_length_b [8.719... |
mp-1277628 | Mn3(OF2)2 | data_[Mn6O4F8]
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 [P-1]
_cell_length_a [4.6646]
_cell_length_b [4.7840]
_cell_length_c [9.7776]
_cell_an... |
mp-15805 | Mn3ZnN | data_[Mn3Zn1N1]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7904]
_cell_length_b [3.7904]
_cell_length_c [3.7904]
_cel... |
mp-1147649 | LiNiH2 | data_[Li1Ni1H2]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2334]
_cell_length_b [3.2334]
_cell_length_c [2.7658]
_ce... |
mp-36765 | Ti(CoO2)2 | data_[Ti4Co8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0058]
_cell_length_b [6.0170]
_cell_length_c [8.6126]
_cel... |
mp-1209700 | Pu4Bi3 | data_[Pu16Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.5439]
_cell_length_b [9.5439]
_cell_length_c [9.5439]
_cell_angle_alpha [90.0000]
_cel... |
mp-1222668 | Li2AlGa | data_[Li8Al4Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2606]
_cell_length_b [6.2606]
_cell_length_c [6.2606]
_c... |
mp-1080274 | CeSe2 | data_[Ce3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2763]
_cell_length_b [4.2763]
_cell_length_c [47.5714]
_cell_angle_alpha [90.0000]
_cell_... |
mp-861933 | LiTmHg2 | data_[Li4Tm4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0463]
_cell_length_b [7.0463]
_cell_length_c [7.0463]
_c... |
mp-23697 | K3AlH6 | data_[K6Al2H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8526]
_cell_length_b [5.8526]
_cell_length_c [9.2426]
_cel... |
mp-1217365 | ThZr2U2O10 | data_[Th3Zr6U6O30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Zr 1.3300 1.5500 0.8600
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8006]
_cell_length_b [3.8006]... |
mp-1183833 | DyMg2 | data_[Dy1Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2236]
_cell_length_b [5.2236]
_cell_length_c [3.3086]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218537 | SrAgGe | data_[Sr10Ag10Ge10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1741]
_cell_length_b [4.7315]
_cell_length_c [14.9560]
... |
mp-1226120 | CoNiSb6 | data_[Co4Ni4Sb24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9363]
_cell_length_b [9.1622]
_cell_length_c [9.1618]
_... |
mp-1207863 | V(AgO)4 | data_[V2Ag8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.8343]
_cell_length_b [7.8343]
_cell_length_c [4.6110]
_cell_an... |
mp-1187299 | Tb3In | data_[Tb6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9464]
_cell_length_b [6.9464]
_cell_length_c [5.5270]
_cell_angle_alpha [90.0000]
_ce... |
mp-1095228 | PuB2C | data_[Pu9B18C9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4818]
_cell_length_b [6.4818]
_cell_length_c [10.2591]
_cell... |
mp-555858 | ZnS | data_[Zn30S30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8633]
_cell_length_b [3.8633]
_cell_length_c [94.4786]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-9277 | Ce2CrN3 | data_[Ce4Cr2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4626]
_cell_length_b [3.7414]
_cell_length_c [12.5940]
_cel... |
mp-1105852 | Sc3As2 | data_[Sc12As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [10.3543]
_cell_length_b [10.3543]
_cell_length_c [3.8641]
_cell_angle_alpha [90.0000]
_cel... |
mp-19330 | CaMoO4 | data_[Ca4Mo4O16]
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 [I4_1/a]
_cell_length_a [5.3107]
_cell_length_b [5.3107]
_cell_length_c [11.5969]
_... |
mp-1223140 | LaCe(CoNi)5 | data_[La1Ce1Co5Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0107]
_cell_length_b [4.9... |
mp-1174093 | Li4MnCo3O8 | data_[Li4Mn1Co3O8]
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 [2.9346]
_cell_length_b [5.0556... |
mp-753069 | LaBi5O9 | data_[La2Bi10O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [18.7848]
_cell_length_b [3.9659]
_cell_length_c [6.9984]
_cel... |
mp-36383 | Ag3(PO4)2 | data_[Ag9P6O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0565]
_cell_length_b [8.0565]
_cell_length_c [10.7805]
_cell_a... |
mp-1185129 | LaPmZn2 | data_[La4Pm4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4343]
_cell_length_b [7.4343]
_cell_length_c [7.4343]
_c... |
mp-23230 | PCl3 | data_[P4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9875]
_cell_length_b [10.0745]
_cell_length_c [6.5232]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1206024 | HoInNi4 | data_[Ho4In4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0269]
_cell_length_b [7.0269]
_cell_length_c [7.0269]
_... |
mp-637575 | AlCr3B4 | data_[Al1Cr3B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9388]
_cell_length_b [2.9429]
_cell_length_c [8.0810]
_cell... |
mp-755318 | ScHO2 | data_[Sc2H2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2335]
_cell_length_b [3.2335]
_cell_length_c [9.0621]
_ce... |
mp-1227869 | BaLaMnSbO6 | data_[Ba2La2Mn2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_... |
mp-1174267 | Li4Mn3CoO8 | data_[Li8Mn6Co2O16]
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 [9.9574]
_cell_length_b [3.06... |
mp-21101 | U(SiPt)2 | data_[U2Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1880]
_cell_length_b [4.1880]
_cell_length_c [9.9185]
_ce... |
mp-1216321 | UCoNi | data_[U4Co4Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8599]
_cell_length_b [4.9674]
_cell_length_c [6.9646]
_cell... |
mp-1064227 | Ca | data_[Ca4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8921]
_cell_length_b [6.7864]
_cell_length_c [6.4304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-1219553 | RbBH4 | data_[Rb4B4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0678]
_cell_length_b [7.0678]
_cell_length_c [7.0678]
_cell... |
mp-1183121 | AcInAg2 | data_[Ac4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4426]
_cell_length_b [7.4426]
_cell_length_c [7.4426]
_c... |
mp-626720 | BaH4O3 | data_[Ba2H8O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.9890]
_cell_length_b [7.0069]
_cell_length_c [6.3882]
_cell_a... |
mp-18842 | TlV4O10 | data_[Tl2V8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7348]
_cell_length_b [3.7138]
_cell_length_c [10.0494]
_cel... |
mp-1104411 | Hg3Bi2(SCl4)2 | data_[Hg6Bi4S4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2897]
_cell_length_b [7.5... |
mp-1185160 | La3Tm | data_[La6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2117]
_cell_length_b [5.2117]
_cell_length_c [10.5056]
_cell_angle_alpha [90.0000]
_cel... |
mp-7084 | SrCaSi | data_[Sr4Ca4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1005]
_cell_length_b [4.9332]
_cell_length_c [9.1444]
_ce... |
mp-30108 | P2PbAu2 | data_[P8Pb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2998]
_cell_length_b [11.5657]
_cell_length_c [11.3819]
_ce... |
mp-1188719 | GdCrTeO6 | data_[Gd2Cr2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.2035]
_cell_length_b [5.2... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.