Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1003483 | CaMn4O8 | data_[Ca1Mn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8349]
_cell_length_b [5.8768]
_cell_length_c [5.9729]
_cell_... |
mp-30533 | KPt2S3 | data_[K6Pt12S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pt 2.2800 1.3500 0.8050
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1790]
_cell_length_b [7.1790]
_cell_length_c [19.4559]
_cel... |
mp-865301 | TmBr3 | data_[Tm2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [10.3674]
_cell_length_b [10.3674]
_cell_length_c [3.6926]
_cell_angle_alpha [90.0000]
_... |
mp-1079070 | UCuSb2 | data_[U2Cu2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3349]
_cell_length_b [4.3349]
_cell_length_c [9.5120]
_ce... |
mp-867286 | TbBS3 | data_[Tb4B4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.2476]
_cell_length_b [6.1053]
_cell_length_c [8.7552]
_cel... |
mp-13472 | HfSiRh | data_[Hf4Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5146]
_cell_length_b [3.9305]
_cell_length_c [7.4559]
_ce... |
mp-24131 | GdH3 | data_[Gd2H6]
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 [P6_3/mmc]
_cell_length_a [3.7254]
_cell_length_b [3.7254]
_cell_length_c [6.7035]
_cell_angle_alpha [90.0000]
_cell... |
mp-11306 | LuCd3 | data_[Lu4Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.2199]
_cell_length_b [10.6675]
_cell_length_c [4.8404]
_cell_angle_alpha [90.0000]
_cell... |
mp-849279 | Li4Mn3OF8 | data_[Li8Mn6O2F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9023]
_cell_length_b [2.9944]
... |
mp-1224411 | GdYV2O8 | data_[Gd2Y2V4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.2655]
_cell_length_b [7.2655]... |
mp-1078335 | Pr2BiN | data_[Pr4Bi2N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.7847]
_cell_length_b [4.7847]
_cell_length_c [9.4941]
_ce... |
mp-22077 | Gd3Pd2 | data_[Gd6Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9100]
_cell_length_b [7.9100]
_cell_length_c [3.9612]
_cell_angle_alpha [90.0000]
_cell... |
mp-1188266 | U2InPt2 | data_[U8In4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.8335]
_cell_length_b [7.8335]
_cell_length_c [7.2549]
_... |
mp-756316 | Li3SbS4 | data_[Li6Sb2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.0294]
_cell_length_b [6.9209]
_cell_length_c [6.4772]
_ce... |
mp-1207603 | YGa3(BO3)4 | data_[Y3Ga9B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.5612]
_cell_length_b [9.5612]
... |
mp-1209870 | Nd3TiSb5 | data_[Nd6Ti2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.4453]
_cell_length_b [9.4453]
_cell_length_c [6.2917... |
mp-755094 | Li2FeO2 | data_[Li4Fe2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9630]
_cell_length_b [3.7326]
_cell_length_c [9.6980]
_cell... |
mp-1216184 | Y(CuS)3 | data_[Y6Cu18S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.6727]
_cell_length_b [6.6727]
_cell_length_c [19.0928]
_cell... |
mp-6474 | Ba3MgNb2O9 | data_[Ba3Mg1Nb2O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8624]
_cell_length_b [5.86... |
mp-1189966 | Dy4Ga12Ni | data_[Dy8Ga24Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6082]
_cell_length_b [8.6082]
_cell_length_c [8.6082]
_... |
mp-976055 | Li3In | data_[Li6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1009]
_cell_length_b [4.1009]
_cell_length_c [8.9432]
_cell_angle_alpha [90.0000]
_cell... |
mp-1220383 | NbB4Mo3 | data_[Nb2B8Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.2156]
_cell_length_b [3.2061]
_cell_length_c [8.5970]
_cell... |
mp-4468 | CuSbS2 | data_[Cu4Sb4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1196]
_cell_length_b [3.8249]
_cell_length_c [14.4499]
_cel... |
mp-567181 | ZrRh | data_[Zr8Rh8]
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 [Cmcm]
_cell_length_a [3.3863]
_cell_length_b [19.7999]
_cell_length_c [4.4099]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1227697 | BaSr3Ca2(MoO6)2 | data_[Ba3Sr9Ca6Mo6O36]
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
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 [R3m]
_cell_length_... |
mp-2186 | NpAs | data_[Np4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8202]
_cell_length_b [5.8202]
_cell_length_c [5.8202]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1030732 | TeMoSe | data_[Te4Mo4Se4]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4406]
_cell_length_b [3.4406]
_cell_length_c [39.0522]
_c... |
mp-23336 | CsMnCl3 | data_[Cs9Mn9Cl27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4080]
_cell_length_b [7.4080]
_cell_length_c [27.7181]
_... |
mp-1207685 | Y6RhI10 | data_[Y6Rh1I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7143]
_cell_length_b [9.6869]
_cell_length_c [9.7964]
_cell_a... |
mp-1182797 | Ba2YbBiO6 | data_[Ba2Yb1Bi1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Yb 1.1000 1.7500 1.0840
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0025]
_cell_length_b [6.0767... |
mp-867127 | ScCdAg2 | data_[Sc4Cd4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7915]
_cell_length_b [6.7915]
_cell_length_c [6.7915]
_c... |
mvc-14167 | WF5 | data_[W4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2356]
_cell_length_b [6.3753]
_cell_length_c [8.0107]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-16958 | LaNi5P3 | data_[La4Ni20P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6326]
_cell_length_b [11.6957]
_cell_length_c [11.5033]
_... |
mp-1095315 | BaWO4 | data_[Ba4W4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.1376]
_cell_length_b [8.1376]
_cell_length_c [7.3486]
_c... |
mp-1205522 | Y2FeSi2 | data_[Y8Fe4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5693]
_cell_length_b [4.1591]
_cell_length_c [10.0171]
_ce... |
mp-1226517 | CeSiGeRh2 | data_[Ce2Si2Ge2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1349]
_cell_length_b [4.1... |
mp-1112689 | Cs2KTmCl6 | data_[Cs8K4Tm4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2774]
_cell_length_b [11... |
mp-1189073 | ScB2Os | data_[Sc4B8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6699]
_cell_length_b [5.1994]
_cell_length_c [6.1821]
_cell... |
mp-1186649 | PmSnPt2 | data_[Pm4Sn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9320]
_cell_length_b [6.9320]
_cell_length_c [6.9320]
_c... |
mp-1184057 | 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 [Fm-3m]
_cell_length_a [6.3313]
_cell_length_b [6.3313]
_cell_length_c [6.3313]
_c... |
mp-1221796 | Mn3Cr3O8 | data_[Mn9Cr9O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0890]
_cell_length_b [6.0890]
_cell_length_c [14.9719]
_ce... |
mp-1101698 | NaCu2O3 | data_[Na2Cu4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.7924]
_cell_length_b [10.0825]
_cell_length_c [3.9157]
_cel... |
mp-26293 | LiMoP2O7 | data_[Li2Mo2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7137]
_cell_length_b [8.4779]
... |
mp-1184300 | EuMg3 | data_[Eu4Mg12]
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 [Fm-3m]
_cell_length_a [7.5137]
_cell_length_b [7.5137]
_cell_length_c [7.5137]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206776 | Tb(PPd)2 | data_[Tb2P4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1033]
_cell_length_b [4.1033]
_cell_length_c [9.9435]
_ce... |
mp-1187931 | YbAlZn2 | data_[Yb4Al4Zn8]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6205]
_cell_length_b [6.6205]
_cell_length_c [6.6205]
_c... |
mp-1029368 | Mg2VN3 | data_[Mg8V4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.9197]
_cell_length_b [5.8229]
_cell_length_c [5.1199]
_cel... |
mp-759200 | V4(OF3)3 | data_[V4O3F9]
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 [P1]
_cell_length_a [5.2786]
_cell_length_b [5.3781]
_cell_length_c [9.0452]
_cell_angle... |
mp-1152 | TiRh3 | data_[Ti1Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8617]
_cell_length_b [3.8617]
_cell_length_c [3.8617]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2057 | DyB2 | data_[Dy1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.2979]
_cell_length_b [3.2979]
_cell_length_c [3.8631]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1187704 | Y2ZnAg | data_[Y8Zn4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [7.2434]
_cell_length_b [7.2434]
_cell_length_c [7.2434]
_cel... |
mp-558974 | Pr5(RuO6)2 | data_[Pr10Ru4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9128]
_cell_length_b [6.0268]
_cell_length_c [7.7438]
_c... |
mp-1179018 | Tb5SbAu2 | data_[Tb20Sb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.1528]
_cell_length_b [8.1528]
_cell_length_c [13.0290]... |
mp-1178369 | CuNiO2 | data_[Cu2Ni2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
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 [5.4928]
_cell_length_b [2.8647]
_cell_length_c [5.6968]
_cell... |
mp-1096898 | Cr3N2 | data_[Cr18N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4597]
_cell_length_b [2.7270]
_cell_length_c [7.5700]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1219262 | ScInPd2 | data_[Sc1In1Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3461]
_cell_length_b [3.3461]
_cell_length_c [6.4810]
_... |
mp-1210288 | Na3MoO4 | data_[Na6Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.4659]
_cell_length_b [6.2168]
_cell_length_c [5.6642]
_ce... |
mp-35267 | Al5CuS8 | data_[Al20Cu4S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.0078]
_cell_length_b [10.0078]
_cell_length_c [10.0078]... |
mp-1188662 | NaAs | data_[Na8As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.9908]
_cell_length_b [6.2762]
_cell_length_c [10.5800]
_cell_angle_alpha [90.0000]
... |
mp-612670 | YNiBC | data_[Y2Ni2B2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5901]
_cell_length_b [3.5901]... |
mp-890 | NdIr2 | data_[Nd8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.6978]
_cell_length_b [7.6978]
_cell_length_c [7.6978]
_cell_angle_alpha [90.0000]
_cell... |
mp-1094857 | Ca3Mg | data_[Ca3Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2592]
_cell_length_b [5.2592]
_cell_length_c [5.2592]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1087215 | NaAsF6 | data_[Na4As4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1477]
_cell_length_b [8.1477]
_cell_length_c [8.1477]
_ce... |
mp-545467 | Li3(CuO2)2 | data_[Li6Cu4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0125]
_cell_length_b [2.7945]
_cell_length_c [7.2733]
_cel... |
mp-1223646 | InGaSb2 | data_[In3Ga3Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5602]
_cell_length_b [4.5602]
_cell_length_c [22.2741]
_ce... |
mp-1018782 | Li3YBi2 | data_[Li3Y1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6790]
_cell_length_b [4.6790]
_cell_length_c [7.3087]
_cel... |
mp-19249 | YbNiO3 | data_[Yb4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3953]
_cell_length_b [7.3956]
_cell_length_c [5.1878]
_cel... |
mp-1218361 | SrCaCuO3 | data_[Sr2Ca2Cu2O6]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4263]
_cell_length_b [3.920... |
mp-1184543 | GdLuAg2 | data_[Gd4Lu4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
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 [7.2695]
_cell_length_b [7.2695]
_cell_length_c [7.2695]
_c... |
mp-30879 | Tb5Tl3 | data_[Tb10Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.0863]
_cell_length_b [9.0863]
_cell_length_c [6.6714]
_cell_angle_alpha [90.0000]
_c... |
mp-19001 | SrMnO3 | data_[Sr4Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5238]
_cell_length_b [5.5238]
_cell_length_c [9.2494]
... |
mp-1232231 | Pm2MgSe4 | data_[Pm16Mg8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.9405]
_cell_length_b [11.9405]
_cell_length_c [11.940... |
mp-1219225 | Sm2(CoNi)5 | data_[Sm2Co5Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9716]
_cell_length_b [4.9482]
_cell_length_c [8.5354]
_ce... |
mp-1216181 | Y2(B2Rh3)3 | data_[Y2B6Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6111]
_cell_length_b [5.6111]
_cell_length_c [8.6007]
_cell... |
mp-23376 | GaSeBr7 | data_[Ga2Se2Br14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [7.0065]
_cell_length_b [6.7733]
_cell_length_c [15.3128]
_ce... |
mp-1215306 | ZrAlV | data_[Zr8Al8V8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7667]
_cell_length_b [5.2538]
_cell_length_c [9.0726]
_cell... |
mp-1212900 | Cu2Pd3Se4 | data_[Cu4Pd6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7218]
_cell_length_b [9.9932]
_cell_length_c [6.3016]
_... |
mp-2348 | Zr2Au | data_[Zr4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.3093]
_cell_length_b [3.3093]
_cell_length_c [11.7565]
_cell_angle_alpha [90.0000]
_cel... |
mp-567705 | TiAl2 | data_[Ti8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.9689]
_cell_length_b [3.9689]
_cell_length_c [24.2842]
_cell_angle_alpha [90.0000]
_... |
mp-998560 | InSnCl3 | data_[In2Sn2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1018]
_cell_length_b [7.9332]
_cell_length_c [5.7765]
_cell... |
mp-755479 | Li2Fe4O3F8 | data_[Li2Fe4O3F8]
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 [P-1]
_cell_length_a [5.0815]
_cell_length_b [6.6780]
... |
mp-676249 | SrU2O6 | data_[Sr2U4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8904]
_cell_length_b [5.5308]
_cell_length_c [11.2393]
_cell... |
mp-1188521 | La5CoPb3 | data_[La10Co2Pb6]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6764]
_cell_length_b [9.6764]
_cell_length_c [7.1884... |
mp-983430 | HfZnPt2 | data_[Hf4Zn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4370]
_cell_length_b [6.4370]
_cell_length_c [6.4370]
_c... |
mp-28318 | HgTeO3 | data_[Hg4Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3141]
_cell_length_b [7.6225]
_cell_length_c [7.6838]
_cell... |
mp-632402 | LiCaUF8 | data_[Li2Ca2U2F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
U 1.3800 1.7500 0.9913
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.3044]
_cell_length_b [5.3044]... |
mp-862754 | PrBS3 | data_[Pr4B4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.6760]
_cell_length_b [6.0327]
_cell_length_c [8.9960]
_cel... |
mp-1186534 | PmAs3 | data_[Pm1As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4286]
_cell_length_b [4.4286]
_cell_length_c [4.4286]
_cell_angle_alpha [90.0000]
_cell_... |
mp-37478 | La5AgS8 | data_[La10Ag2S16]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.7000]
_cell_length_b [8.7000]
_cell_length_c [8.7834]
_cel... |
mp-866810 | Ca2SnS4 | data_[Ca8Sn4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [9.7369]
_cell_length_b [10.1690]
_cell_length_c [7.0419]
_ce... |
mp-1101654 | NaEuO2 | data_[Na4Eu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.7277]
_cell_length_b [4.7277]
_cell_length_c [10.6389]
... |
mp-6953 | Ca(MnP)2 | data_[Ca1Mn2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7946]
_cell_length_b [3.7946]
_cell_length_c [6.7817]
_cel... |
mp-1228172 | BaBiNO5 | data_[Ba4Bi4N4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.9206]
_cell_length_b [15.7492]... |
mp-1183301 | Ba2ZnHg | data_[Ba8Zn4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3459]
_cell_length_b [8.3459]
_cell_length_c [8.3459]
_c... |
mp-1209125 | RbYbBeF6 | data_[Rb2Yb2Be2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Yb 1.1000 1.7500 1.0840
Be 1.5700 1.0500 0.5900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4798]
_cell_length_b [6.... |
mp-16225 | Y3Si3Rh | data_[Y12Si12Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6049]
_cell_length_b [4.2367]
_cell_length_c [13.5872]
_... |
mp-1103021 | PrPb2 | data_[Pr8Pb16]
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 [I4_1/amd]
_cell_length_a [4.8086]
_cell_length_b [4.8086]
_cell_length_c [31.6489]
_cell_angle_alpha [90.0000]
_... |
mp-1227349 | BaZnIn3 | data_[Ba2Zn2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.8312]
_cell_length_b [4.8312]
_cell_length_c [12.1971]
_c... |
mp-23223 | TiI3 | data_[Ti2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.7445]
_cell_length_b [7.7445]
_cell_length_c [6.4196]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218390 | Sr4Zn3Si5 | data_[Sr4Zn3Si5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2636]
_cell_length_b [4.2636]
_cell_length_c [18.2946]
_... |
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