Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1229119 | Al(Ni4Pt)3 | data_[Al1Ni12Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6218]
_cell_length_b [3.6218]
_cell_length_c [14.5094]... |
mp-757487 | VOF | data_[V6O6F6]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.1036]
_cell_length_b [4.7542]
_cell_length_c [14.1999]
_cell_... |
mp-1183936 | Eu2Mg | data_[Eu8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8725]
_cell_length_b [18.6507]
_cell_length_c [5.9975]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1247249 | Dy3Mg2CrS8 | data_[Dy9Mg6Cr3S24]
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
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7907]
_cell_length_b [7.79... |
mp-21203 | TbCoSi | data_[Tb2Co2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9896]
_cell_length_b [3.9896]
_cell_length_c [6.6659]
_... |
mp-622618 | BaLaNiRuO6 | data_[Ba2La2Ni2Ru2O12]
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
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_... |
mp-7400 | NaAlGe | data_[Na2Al2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1684]
_cell_length_b [4.1684]
_cell_length_c [7.4698]
_... |
mp-668 | PrGa2 | data_[Pr1Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.3013]
_cell_length_b [4.3013]
_cell_length_c [4.3508]
_cell_angle_alpha [90.0000]
_cell... |
mp-975658 | PrHo3 | data_[Pr2Ho6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2688]
_cell_length_b [7.2688]
_cell_length_c [5.7226]
_cell_angle_alpha [90.0000]
_ce... |
mp-1186614 | PmNd | data_[Pm1Nd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6728]
_cell_length_b [3.6728]
_cell_length_c [6.0293]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1027355 | Te4Mo3WS4 | data_[Te4Mo3W1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3580]
_cell_length_b [3.3580]... |
mp-1177243 | Li4TiFe3O8 | data_[Li4Ti1Fe3O8]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0908]
_cell_length_b [5.6612]... |
mp-977391 | LiNd2Os | data_[Li4Nd8Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1535]
_cell_length_b [7.1535]
_cell_length_c [7.1535]
_c... |
mp-9359 | ZnSi(AgO2)2 | data_[Zn2Si2Ag4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.5395]
_cell_length_b [5.5788]... |
mp-1183738 | CeSb3 | data_[Ce1Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7655]
_cell_length_b [4.7655]
_cell_length_c [4.7655]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1272139 | SnBr2 | data_[Sn1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4013]
_cell_length_b [4.4013]
_cell_length_c [6.8598]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1205450 | Pu2Se3 | data_[Pu8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1069]
_cell_length_b [4.1018]
_cell_length_c [10.9740]
_cell_angle_alpha [90.0000]
_cel... |
mp-850915 | LiFe2O2F3 | data_[Li4Fe8O8F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0470]
_cell_length_b [3.848... |
mp-1209677 | Pr6OsI10 | data_[Pr6Os1I10]
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 [P-1]
_cell_length_a [8.0729]
_cell_length_b [10.0375]
_cell_length_c [10.1751]
_ce... |
mp-1187426 | ThMgHg2 | data_[Th4Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
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 [7.3718]
_cell_length_b [7.3718]
_cell_length_c [7.3718]
_c... |
mp-865639 | LuPaRu2 | data_[Lu4Pa4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [6.7914]
_cell_length_b [6.7914]
_cell_length_c [6.7914]
_c... |
mp-9304 | DyCuSeO | data_[Dy2Cu2Se2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8880]
_cell_length_b [3.8... |
mp-866127 | LuTaOs2 | data_[Lu4Ta4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ta 1.5000 1.4500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5037]
_cell_length_b [6.5037]
_cell_length_c [6.5037]
_c... |
mp-1139 | Co3Mo | data_[Co6Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1122]
_cell_length_b [5.1122]
_cell_length_c [4.0887]
_cell_angle_alpha [90.0000]
_ce... |
mp-20857 | CoB | data_[Co4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.1690]
_cell_length_b [3.0648]
_cell_length_c [3.9217]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1184201 | Cs2SbCl6 | data_[Cs8Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7329]
_cell_length_b [10.7329]
_cell_length_c [10.7329... |
mp-754109 | PrAsO4 | data_[Pr4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.1991]
_cell_length_b [5.1991]
_cell_length_c [11.8531]
_... |
mp-1212904 | Dy5Co2Bi | data_[Dy20Co8Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6576]
_cell_length_b [7.6576]
_cell_length_c [13.4449]... |
mp-1188284 | Ce7Pd3 | data_[Ce14Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.8719]
_cell_length_b [9.8719]
_cell_length_c [6.2385]
_cell_angle_alpha [90.0000]
_cel... |
mp-1218418 | Sr3Se2(ClO3)2 | data_[Sr6Se4Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.3851]
_cell_length_b [5.638... |
mp-1205533 | TlSnI3 | data_[Tl4Sn4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6484]
_cell_length_b [15.2007]
_cell_length_c [11.9204]
_c... |
mp-755139 | Li5BiS4 | data_[Li10Bi2S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9473]
_cell_length_b [7.2307]
_cell_length_c [13.5037]
_ce... |
mp-1216927 | TiCrSi4 | data_[Ti3Cr3Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.5963]
_cell_length_b [12.8230]
_cell_length_c [4.6143]
_ce... |
mp-1113330 | CsRb2YBr6 | data_[Cs4Rb8Y4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.4032]
_cell_length_b [12... |
mp-1189871 | Zr5Sn3N | data_[Zr10Sn6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4880]
_cell_length_b [8.4880]
_cell_length_c [5.8136]
... |
mp-752734 | LiAg2F4 | data_[Li2Ag4F8]
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 [P2_1/m]
_cell_length_a [3.3091]
_cell_length_b [10.8913]
_cell_length_c [5.5811]
_c... |
mp-1105392 | Ce3Bi4Pt3 | data_[Ce12Bi16Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.0614]
_cell_length_b [10.0614]
_cell_length_c [10.06... |
mp-1187741 | VAu3 | data_[V2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8536]
_cell_length_b [5.8536]
_cell_length_c [4.6998]
_cell_angle_alpha [90.0000]
_cell... |
mp-1223377 | La2CoSn4 | data_[La4Co2Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6105]
_cell_length_b [4.6508]
_cell_length_c [17.1304]
_c... |
mp-1227546 | Ca2LaRuO6 | data_[Ca4La2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.6544]
_cell_length_b [5.9114... |
mp-21481 | Pr3Pb | data_[Pr3Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0455]
_cell_length_b [5.0455]
_cell_length_c [5.0455]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1227335 | Bi2Te2S | data_[Bi6Te6S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3168]
_cell_length_b [4.3168]
_cell_length_c [30.1685]
_cell... |
mp-2495 | PrS | data_[Pr4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8077]
_cell_length_b [5.8077]
_cell_length_c [5.8077]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1009086 | BeSnP2 | data_[Be4Sn4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.4423]
_cell_length_b [5.4423]
_cell_length_c [10.8776]
_ce... |
mp-1217963 | SrPrAlO4 | data_[Sr2Pr2Al2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7807]
_cell_length_b [3.780... |
mp-973283 | HoLuAg2 | data_[Ho4Lu4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1675]
_cell_length_b [7.1675]
_cell_length_c [7.1675]
_c... |
mp-1205998 | Rb3TmF6 | data_[Rb12Tm4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.6136]
_cell_length_b [9.6136]
_cell_length_c [9.6136]
_c... |
mp-5478 | TlPd3O4 | data_[Tl8Pd24O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7587]
_cell_length_b [9.7587]
_cell_length_c [9.7587]
_c... |
mp-567566 | Ho7FeI12 | data_[Ho21Fe3I36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.6716]
_cell_length_b [15.6716]
_cell_length_c [10.8636]
_... |
mp-1213703 | Cs3Ca2Cl7 | data_[Cs6Ca4Cl14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4520]
_cell_length_b [5.4520]
_cell_length_c [28.3979]... |
mp-30580 | SrGaCu2 | data_[Sr3Ga3Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2867]
_cell_length_b [4.2867]
_cell_length_c [15.9901]
_c... |
mp-260 | CrB | data_[Cr4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9266]
_cell_length_b [7.8509]
_cell_length_c [2.9164]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1176588 | LiNiO2 | data_[Li4Ni4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [2.7878]
_cell_length_b [5.1690]
_cell_length_c [9.7328]
_ce... |
mp-21438 | LaInAu | data_[La3In3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9023]
_cell_length_b [7.9023]
_cell_length_c [4.3196]
_c... |
mp-1217163 | Ti5S8 | data_[Ti5S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9433]
_cell_length_b [3.4138]
_cell_length_c [11.8894]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-13972 | Sm2SeO2 | data_[Sm2Se1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9565]
_cell_length_b [3.9565]
_cell_length_c [6.9848]
_cel... |
mp-19169 | PrVO4 | data_[Pr4V4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.4847]
_cell_length_b [7.4847]
_cell_length_c [6.5389]
_c... |
mp-24092 | GdH2 | data_[Gd4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3133]
_cell_length_b [5.3133]
_cell_length_c [5.3133]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-7007 | NbSe2 | data_[Nb4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.4829]
_cell_length_b [24.6780]
_cell_length_c [6.0369]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865471 | VGaTc2 | data_[V4Ga4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0929]
_cell_length_b [6.0929]
_cell_length_c [6.0929]
_cel... |
mp-754047 | Rb3SbO3 | data_[Rb12Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1382]
_cell_length_b [11.1858]
_cell_length_c [7.8282]
_c... |
mp-31024 | Sc5CCl8 | data_[Sc10C2Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
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 [18.2042]
_cell_length_b [3.5446]
_cell_length_c [12.2102]
_... |
mp-753382 | LiMnPO4 | data_[Li2Mn2P2O8]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [4.3731]
_cell_length_b [4.3731]
... |
mp-754311 | Mg(ReO4)2 | data_[Mg1Re2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.8200]
_cell_length_b [5.8200]
_cell_length_c [6.1471]
_cell_... |
mp-1206030 | Tm2Ge6Pt | data_[Tm4Ge12Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0753]
_cell_length_b [4.0595]
_cell_length_c [21.9219]
_... |
mp-1008394 | Cl2 | data_[Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.6735]
_cell_length_b [4.2636]
_cell_length_c [8.6015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-546684 | PdSeO3 | data_[Pd4Se4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
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 [7.2358]
_cell_length_b [7.1257]
_cell_length_c [7.2682]
_cel... |
mp-1104569 | Yb(GaS2)2 | data_[Yb4Ga8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.0421]
_cell_length_b [10.0533]
_cell_length_c [10.0914]
_c... |
mp-1223928 | Ho2ZnCuSi2 | data_[Ho2Zn1Cu1Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9871]
_cell_length_b [4.0... |
mp-1185328 | LiHo2In | data_[Li4Ho8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4225]
_cell_length_b [7.4225]
_cell_length_c [7.4225]
_c... |
mp-1176438 | MnF3 | data_[Mn4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4183]
_cell_length_b [7.8026]
_cell_length_c [5.4189]
_cell_angle_alpha [90.0000]
_cell_... |
mp-204 | CeFe2 | data_[Ce8Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.2278]
_cell_length_b [7.2278]
_cell_length_c [7.2278]
_cell_angle_alpha [90.0000]
_cell... |
mp-21483 | Nd3In | data_[Nd3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9923]
_cell_length_b [4.9923]
_cell_length_c [4.9923]
_cell_angle_alpha [90.0000]
_cell_... |
mp-862857 | PaS3 | data_[Pa2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7656]
_cell_length_b [5.7656]
_cell_length_c [5.0033]
_cell_angle_alpha [90.0000]
_cell... |
mp-973957 | La2ZnAg | data_[La8Zn4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6094]
_cell_length_b [7.6094]
_cell_length_c [7.6094]
_c... |
mp-1102490 | Li3Ni2SbO6 | data_[Li6Ni4Sb2O12]
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
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2495]
_cell_length_b [9.04... |
mp-1187538 | YbPmCu2 | data_[Yb4Pm4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9963]
_cell_length_b [6.9963]
_cell_length_c [6.9963]
_c... |
mp-1183041 | ZrZnCo2 | data_[Zr4Zn4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0538]
_cell_length_b [6.0538]
_cell_length_c [6.0538]
_c... |
mp-554340 | CrF2 | data_[Cr2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.5708]
_cell_length_b [4.8015]
_cell_length_c [5.6869]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1199 | HoMg | data_[Ho1Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7754]
_cell_length_b [3.7754]
_cell_length_c [3.7754]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22443 | VInO4 | data_[V4In4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8472]
_cell_length_b [8.6474]
_cell_length_c [6.7652]
_cell_... |
mp-11904 | LiSm2IrO6 | data_[Li2Sm4Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3935]
_cell_length_b [5.... |
mp-1103521 | Sr8Rh5 | data_[Sr8Rh5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [7.3156]
_cell_length_b [7.3156]
_cell_length_c [7.3156]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186588 | PmHoAl2 | data_[Pm4Ho4Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2717]
_cell_length_b [7.2717]
_cell_length_c [7.2717]
_c... |
mp-976008 | NdTmMg2 | data_[Nd4Tm4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6354]
_cell_length_b [7.6354]
_cell_length_c [7.6354]
_c... |
mp-12814 | Ba3SbN | data_[Ba6Sb2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6672]
_cell_length_b [7.6672]
_cell_length_c [6.7553]
_... |
mp-1221914 | Mn2CdTeO6 | data_[Mn4Cd2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4055]
_cell_length_b [6.4217... |
mp-2426 | LiAg | data_[Li1Ag1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.1920]
_cell_length_b [3.1920]
_cell_length_c [3.1920]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1103149 | AgMoH4S4N | data_[Ag2Mo2H8S8N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Mo 2.1600 1.4500 0.7750
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.... |
mp-1070152 | Ca(CoSi)2 | data_[Ca2Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9074]
_cell_length_b [3.9074]
_cell_length_c [9.9127]
_... |
mp-767 | Yb3Ge5 | data_[Yb3Ge5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9510]
_cell_length_b [6.9510]
_cell_length_c [4.3001]
_cell_angle_alpha [90.0000]
_cell_... |
mp-11571 | YSn3 | data_[Y1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7275]
_cell_length_b [4.7275]
_cell_length_c [4.7275]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1144 | ErP | data_[Er4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6134]
_cell_length_b [5.6134]
_cell_length_c [5.6134]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-4179 | YbPO4 | data_[Yb4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.0060]
_cell_length_b [7.0060]
_cell_length_c [6.1459]
_c... |
mp-1209881 | NbTlCl6 | data_[Nb4Tl4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3436]
_cell_length_b [6.4840]
_cell_length_c [12.5132]
... |
mp-1222874 | LaPr3Al4O12 | data_[La1Pr3Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.3664]
_cell_length_b [5.3... |
mp-5663 | BaCeO3 | data_[Ba1Ce1O3]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4742]
_cell_length_b [4.4742]
_cell_length_c [4.4742]
_cel... |
mp-19896 | Li2GePbS4 | data_[Li4Ge2Pb2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.5705]
_cell_length_b [6.57... |
mp-1072824 | DyCuSn | data_[Dy2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5178]
_cell_length_b [4.5178]
_cell_length_c [7.3809]... |
mp-1058581 | Ba | data_[Ba4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3571]
_cell_length_b [7.9122]
_cell_length_c [7.3681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.