Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1216316 | UCoNiGe2 | data_[U2Co2Ni2Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9810]
_cell_length_b [3.98... |
mp-1173089 | U2AsSe | data_[U8As4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
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 [5.7838]
_cell_length_b [5.7838]
_cell_length_c [11.5095]
... |
mp-1186901 | Re | data_[Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.7849]
_cell_length_b [2.7849]
_cell_length_c [8.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-983509 | Na3Cd | data_[Na6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0609]
_cell_length_b [7.0609]
_cell_length_c [5.6685]
_cell_angle_alpha [90.0000]
_ce... |
mp-11548 | YbTlPd | data_[Yb3Tl3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7590]
_cell_length_b [7.7590]
_cell_length_c [3.9925]
_c... |
mp-752418 | La2Se2O | data_[La8Se8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.7088]
_cell_length_b [4.1787]
_cell_length_c [7.3859]
_cel... |
mp-1188890 | Y7Pt3 | data_[Y14Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.9447]
_cell_length_b [9.9447]
_cell_length_c [6.3090]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1103749 | Sc(CrGe)6 | data_[Sc1Cr6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0529]
_cell_length_b [5.0529]
_cell_length_c [8.3047]
_... |
mp-1223285 | KV4O10 | data_[K2V8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7537]
_cell_length_b [3.7131]
_cell_length_c [9.8080]
_cell_ang... |
mp-7086 | RbFeSe2 | data_[Rb4Fe4Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5356]
_cell_length_b [12.2181]
_cell_length_c [5.6366]
_c... |
mp-6985 | Ti | data_[Ti4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.1091]
_cell_length_b [4.1091]
_cell_length_c [4.1091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1105902 | UCoS3 | data_[U4Co4S12]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8525]
_cell_length_b [8.3964]
_cell_length_c [5.9023]
_cell_... |
mp-867798 | La2AgRu | data_[La8Ag4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3696]
_cell_length_b [7.3696]
_cell_length_c [7.3696]
_c... |
mp-1080525 | FeB | data_[Fe8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [2.9316]
_cell_length_b [2.9316]
_cell_length_c [14.9582]
_cell_angle_alpha [90.0000]
_cel... |
mp-864645 | YbSiPt2 | data_[Yb4Si4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3134]
_cell_length_b [6.9263]
_cell_length_c [5.5403]
_ce... |
mp-35015 | NaBiSe2 | data_[Na4Bi4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.9361]
_cell_length_b [5.9361]
_cell_length_c [12.3179... |
mp-8462 | Hf3Al2 | data_[Hf12Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.5879]
_cell_length_b [7.5879]
_cell_length_c [6.8756]
_cell_angle_alpha [90.0000]
_c... |
mp-977558 | MgPaRu2 | data_[Mg4Pa4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pa 1.5000 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5863]
_cell_length_b [6.5863]
_cell_length_c [6.5863]
_c... |
mp-1522804 | BaSrSmSbO6 | data_[Ba2Sr2Sm2Sb2O12]
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
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1208252 | Ti5As3 | data_[Ti10As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.5602]
_cell_length_b [7.5602]
_cell_length_c [5.1966]
_cell_angle_alpha [90.0000]
_c... |
mp-19879 | PPd3 | data_[P4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0543]
_cell_length_b [7.5528]
_cell_length_c [5.2625]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-977056 | MgPt5 | data_[Mg2Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4588]
_cell_length_b [2.7934]
_cell_length_c [6.7274]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1217695 | Tb2Mg5Ag | data_[Tb6Mg15Ag3]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0933]
_cell_length_b [5.0933]
_cell_length_c [24.8363]
_... |
mp-1228479 | Al2Zn(SeS)2 | data_[Al4Zn2Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.6879]
_cell_length_b [10.6814... |
mp-1222607 | Li2SnPt | data_[Li8Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3628]
_cell_length_b [6.3628]
_cell_length_c [6.3628]
_c... |
mp-1176770 | LiCrP2S7 | data_[Li2Cr2P4S14]
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
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.5762]
_cell_length_b [9.8382]
... |
mp-15651 | NiSe | data_[Ni9Se9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.0013]
_cell_length_b [10.0013]
_cell_length_c [3.3350]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1246834 | LiCoN | data_[Li4Co4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.9637]
_cell_length_b [2.8414]
_cell_length_c [4.2238]
_cell... |
mp-1217976 | Ta2VC2 | data_[Ta6V3C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1018]
_cell_length_b [3.1018]
_cell_length_c [21.6864]
_cell_... |
mp-1184466 | EuIn3 | data_[Eu2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8494]
_cell_length_b [6.8494]
_cell_length_c [5.3197]
_cell_angle_alpha [90.0000]
_ce... |
mp-1025443 | ThCd3 | data_[Th2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8544]
_cell_length_b [6.8544]
_cell_length_c [5.0212]
_cell_angle_alpha [90.0000]
_ce... |
mp-1180326 | Na3NpO6 | data_[Na16Np8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Np 1.3600 1.7500 1.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.5150]
_cell_length_b [5.7702]
_cell_length_c [11.7118]
_ce... |
mp-1027738 | TeMoS | data_[Te4Mo4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3618]
_cell_length_b [3.3618]
_cell_length_c [39.7300]
_cel... |
mp-23282 | ZrI3 | data_[Zr2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.0080]
_cell_length_b [8.0080]
_cell_length_c [6.6041]
_cell_angle_alpha [90.0000]
_cell... |
mp-10783 | RbHoSe2 | data_[Rb3Ho3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2283]
_cell_length_b [4.2283]
_cell_length_c [23.9845]
_c... |
mp-1222032 | Mn2InSbO6 | data_[Mn4In2Sb2O12]
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
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3599]
_cell_length_b [6.3823... |
mp-18755 | NdMnSbO | data_[Nd2Mn2Sb2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [P4/nmm]
_cell_length_a [4.2597]
_cell_length_b [4.2... |
mp-1220831 | Nb10Ge7 | data_[Nb10Ge7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.8406]
_cell_length_b [7.8406]
_cell_length_c [5.4334]
_cell_angle_alpha [90.0000]
_cell... |
mp-29151 | Li5NCl2 | data_[Li15N3Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6543]
_cell_length_b [3.6543]
_cell_length_c [28.8932]
_ce... |
mp-567849 | Er2Al3Co | data_[Er4Al6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4928]
_cell_length_b [5.4928]
_cell_length_c [8.5198]... |
mp-23196 | U3Bi4 | data_[U12Bi16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.3606]
_cell_length_b [9.3606]
_cell_length_c [9.3606]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184437 | EuInAg2 | data_[Eu4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
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 [7.2356]
_cell_length_b [7.2356]
_cell_length_c [7.2356]
_c... |
mp-759224 | Li5CuF8 | data_[Li10Cu2F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.8167]
_cell_length_b [8.2888]
_cell_length_c [5.9105]
_ce... |
mp-972970 | ScSiRh2 | data_[Sc4Si4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1755]
_cell_length_b [6.1755]
_cell_length_c [6.1755]
_c... |
mp-1272616 | BaYMnCuO5 | data_[Ba1Y1Mn1Cu1O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
mp-1105840 | Nb3VSe6 | data_[Nb6V2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [6.0722]
_cell_length_b [6.0722]
_cell_length_c [12.7453]
_... |
mp-861654 | HoInPd2 | data_[Ho4In4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7864]
_cell_length_b [6.7864]
_cell_length_c [6.7864]
_c... |
mp-1223422 | La10ZnPb5 | data_[La20Zn2Pb10]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [12.8899]
_cell_length_b [12.8899]
_cell_length_c [6.4262]... |
mp-1014230 | TiZn | data_[Ti1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.1468]
_cell_length_b [3.1468]
_cell_length_c [3.1468]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1102938 | MnTlF4 | data_[Mn4Tl4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8483]
_cell_length_b [5.5712]
_cell_length_c [5.4992]
_ce... |
mp-1222691 | Li5Fe2(IrO5)2 | data_[Li10Fe4Ir4O20]
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
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.1506]
_cell_length_b [15.26... |
mp-867119 | LiHfPd2 | data_[Li4Hf4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3946]
_cell_length_b [6.3946]
_cell_length_c [6.3946]
_c... |
mp-1183592 | CaYbPd2 | data_[Ca4Yb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0016]
_cell_length_b [7.0016]
_cell_length_c [7.0016]
_c... |
mp-646507 | Hf2Ni2Sn | data_[Hf4Ni4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.0621]
_cell_length_b [7.0621]
_cell_length_c [3.3898]
_... |
mp-1205643 | Ba2CePaO6 | data_[Ba8Ce4Pa4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0428]
_cell_length_b [9.0... |
mp-1186746 | PrBi3 | data_[Pr2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7591]
_cell_length_b [4.7591]
_cell_length_c [11.0939]
_cell_angle_alpha [90.0000]
_cel... |
mp-1176530 | LiVF4 | data_[Li4V4F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5826]
_cell_length_b [3.1278]
_cell_length_c [10.3315]
_cel... |
mp-1100415 | ZrSbRh | data_[Zr4Sb4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3403]
_cell_length_b [6.3403]
_cell_length_c [6.3403]
_c... |
mp-1210087 | NaEr(Pd3O4)2 | data_[Na1Er1Pd6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.8158]
_cell_length_b [5.815... |
mp-28962 | Ti4Bi2O11 | data_[Ti8Bi4O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [C2/m]
_cell_length_a [14.9306]
_cell_length_b [3.7969]
_cell_length_c [10.3112]
_c... |
mp-1205887 | Er2Ge6Pd | data_[Er4Ge12Pd2]
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 [Amm2]
_cell_length_a [4.0760]
_cell_length_b [4.0403]
_cell_length_c [21.9494]
_... |
mp-989638 | CaTcN3 | data_[Ca4Tc4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3674]
_cell_length_b [3.6557]
_cell_length_c [6.4760]
_ce... |
mp-983365 | K3Hg | data_[K6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8843]
_cell_length_b [5.8843]
_cell_length_c [11.8933]
_cell_angle_alpha [90.0000]
_cell_... |
mp-867882 | SmCdAu2 | data_[Sm4Cd4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
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 [7.0866]
_cell_length_b [7.0866]
_cell_length_c [7.0866]
_c... |
mp-754425 | Li2MnCr3O8 | data_[Li4Mn2Cr6O16]
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 [C2/m]
_cell_length_a [10.2234]
_cell_length_b [5.8... |
mp-669917 | ZrRh | data_[Zr4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1543]
_cell_length_b [4.4922]
_cell_length_c [5.3596]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1079715 | LuNiGe3 | data_[Lu4Ni4Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0832]
_cell_length_b [21.5327]
_cell_length_c [4.0461]
_... |
mp-19722 | MnCu2SnS4 | data_[Mn2Cu4Sn2S8]
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
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.5063]
_cell_length_b [5.50... |
mp-754844 | Na2IrO3 | data_[Na8Ir4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5430]
_cell_length_b [9.5864]
_cell_length_c [5.6397]
_cel... |
mp-4135 | RbPO3 | data_[Rb4P4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6254]
_cell_length_b [4.3183]
_cell_length_c [13.4016]
_ce... |
mp-1208871 | Sr2EuBiO6 | data_[Sr4Eu2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9733]
_cell_length_b [6.... |
mp-1188741 | Zr3Co2Si3 | data_[Zr12Co8Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8656]
_cell_length_b [10.0758]
_cell_length_c [12.9617]... |
mp-1222736 | Li5Co(Ni2O5)2 | data_[Li10Co2Ni8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.8398]
_cell_length_b [2.... |
mp-1095697 | LaMg2 | data_[La4Mg8]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2791]
_cell_length_b [6.2791]
_cell_length_c [9.8753]
_cell_angle_alpha [90.0000]
_ce... |
mp-1113785 | Rb2GaAgCl6 | data_[Rb8Ga4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3005]
_cell_length_b [... |
mp-4410 | Yb(Al2Mo)2 | data_[Yb2Al8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.7703]
_cell_length_b [6.7703]
_cell_length_c [5.3413]
_... |
mp-1027273 | MoW3S8 | data_[Mo1W3S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1910]
_cell_length_b [3.1910]
_cell_length_c [35.8518]
_cell_... |
mp-1096994 | HfN | data_[Hf2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1564]
_cell_length_b [3.1564]
_cell_length_c [5.4290]
_cell_angle_alpha [90.0000]
_cell... |
mp-867246 | TbGa3 | data_[Tb2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3007]
_cell_length_b [6.3007]
_cell_length_c [4.5709]
_cell_angle_alpha [90.0000]
_ce... |
mp-1183716 | Ce2TlAg | data_[Ce8Tl4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6301]
_cell_length_b [7.6301]
_cell_length_c [7.6301]
_c... |
mp-864743 | Yb2TlCd | data_[Yb8Tl4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6377]
_cell_length_b [7.6377]
_cell_length_c [7.6377]
_c... |
mp-864957 | MnSbRu2 | data_[Mn4Sb4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2415]
_cell_length_b [6.2415]
_cell_length_c [6.2415]
_c... |
mp-17045 | Hf3Rh5 | data_[Hf6Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.6177]
_cell_length_b [10.9224]
_cell_length_c [4.3027]
_cell_angle_alpha [90.0000]
_cell... |
mp-1223854 | HoCoRu | data_[Ho4Co4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1490]
_cell_length_b [5.1602]
_cell_length_c [7.3925]
_ce... |
mp-23102 | Sr2Cu(ClO)2 | data_[Sr4Cu2Cl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9896]
_cell_length_b [3.9... |
mp-1219253 | Sm2In3Cu | data_[Sm2In3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7525]
_cell_length_b [4.7525]
_cell_length_c [7.5901]
_ce... |
mp-1217890 | TaSeS | data_[Ta1Se1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4333]
_cell_length_b [3.4333]
_cell_length_c [6.3999]
_cell... |
mp-6687 | Ba2HoSbO6 | data_[Ba8Ho4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5044]
_cell_length_b [8.5... |
mp-568912 | Be12Nb | data_[Be24Nb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.3200]
_cell_length_b [7.3200]
_cell_length_c [4.2130]
_cell_angle_alpha [90.0000]
_cel... |
mp-1205949 | PrMgIn | data_[Pr3Mg3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8382]
_cell_length_b [7.8382]
_cell_length_c [4.7435]
_c... |
mp-752547 | Mn3OF5 | data_[Mn6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.9646]
_cell_length_b [3.2282]
_cell_length_c [10.9764]
_cell_a... |
mp-1209364 | Rb3MnBr5 | data_[Rb12Mn4Br20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.4400]
_cell_length_b [9.4400]
_cell_length_c [15.4207... |
mp-1205585 | Ba2HoUO6 | data_[Ba8Ho4U4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ho 1.2300 1.7500 1.0410
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7911]
_cell_length_b [8.791... |
mp-756012 | LiVF4 | data_[Li4V4F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7751]
_cell_length_b [6.0727]
_cell_length_c [5.1210]
_cell... |
mp-5549 | MgSnAu | data_[Mg4Sn4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5228]
_cell_length_b [6.5228]
_cell_length_c [6.5228]
_c... |
mp-1113287 | Rb2CuAuCl6 | data_[Rb8Cu4Au4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0456]
_cell_length_b [... |
mp-1219791 | PrZrNO2 | data_[Pr4Zr4N4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7962]
_cell_length_b [5.968... |
mp-4305 | Er(CuSi)2 | data_[Er2Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9424]
_cell_length_b [3.9424]
_cell_length_c [9.9998]
_... |
mp-985547 | Ac3Sm | data_[Ac6Sm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8620]
_cell_length_b [7.8620]
_cell_length_c [6.3190]
_cell_angle_alpha [90.0000]
_ce... |
mp-550566 | EuBi2ClO4 | data_[Eu1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9328]
_cell_length_b [3.9... |
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