Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-19895 | NiSb2 | data_[Ni2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.3506]
_cell_length_b [6.3138]
_cell_length_c [3.8035]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-560067 | AgHgSBr | data_[Ag4Hg4S4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.9631]
_cell_length_b [4.677... |
mp-1188640 | Zr5Sn3As | data_[Zr10Sn6As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.7025]
_cell_length_b [8.7025]
_cell_length_c [5.9620... |
mp-2613 | LaCu5 | data_[La1Cu5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1602]
_cell_length_b [5.1602]
_cell_length_c [4.1376]
_cell_angle_alpha [90.0000]
_cell... |
mp-1188815 | U2CoS5 | data_[U8Co4S20]
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 [C2/c]
_cell_length_a [14.3026]
_cell_length_b [5.9966]
_cell_length_c [6.9212]
_cell... |
mp-1103046 | CaCdPt | data_[Ca4Cd4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3146]
_cell_length_b [4.3255]
_cell_length_c [8.6314]
_ce... |
mp-864878 | ZrAlAu2 | data_[Zr4Al4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6638]
_cell_length_b [6.6638]
_cell_length_c [6.6638]
_c... |
mp-1187821 | YbAg3 | data_[Yb4Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9243]
_cell_length_b [6.9243]
_cell_length_c [6.9243]
_cell_angle_alpha [90.0000]
_cell... |
mp-975271 | RbTi5Se8 | data_[Rb2Ti10Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0224]
_cell_length_b [3.6480]
_cell_length_c [9.2387]
... |
mp-1227481 | Ca2NdRuO6 | data_[Ca4Nd2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.6109]
_cell_length_b [5.9008... |
mp-13263 | Ce2Mo2C3 | data_[Ce4Mo4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1606]
_cell_length_b [3.3563]
_cell_length_c [5.7871]
_cel... |
mp-1113010 | Cs2LiNdI6 | data_[Cs8Li4Nd4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2556]
_cell_length_b [12... |
mp-7032 | HfMoP | data_[Hf3Mo3P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9314]
_cell_length_b [6.9314]
_cell_length_c [3.4144]
_cel... |
mp-1021518 | CsCr5S8 | data_[Cs2Cr10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3687]
_cell_length_b [3.5127]
_cell_length_c [8.9168]
_c... |
mp-8496 | Sr2SmNbO6 | data_[Sr4Sm2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8945]
_cell_length_b [6.... |
mp-1206540 | TbMgTl | data_[Tb3Mg3Tl3]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6043]
_cell_length_b [7.6043]
_cell_length_c [4.6889]
_c... |
mp-1218058 | SrPrMgRuO6 | data_[Sr2Pr2Mg2Ru2O12]
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
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-1079278 | Sr(AlAu)2 | data_[Sr2Al4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5295]
_cell_length_b [4.5295]
_cell_length_c [10.5390]
... |
mp-30385 | Ho2Au | data_[Ho8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0839]
_cell_length_b [4.9483]
_cell_length_c [8.9167]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1926 | HoFe2 | data_[Ho8Fe16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.2378]
_cell_length_b [7.2378]
_cell_length_c [7.2378]
_cell_angle_alpha [90.0000]
_cell... |
mp-1104233 | Ce2Te5 | data_[Ce8Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4173]
_cell_length_b [43.4124]
_cell_length_c [4.4175]
_cell_angle_alpha [90.0000]
_cell... |
mp-984725 | BaTl3 | data_[Ba2Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.7949]
_cell_length_b [7.7949]
_cell_length_c [5.2689]
_cell_angle_alpha [90.0000]
_ce... |
mp-1227477 | Ca2LaTaO6 | data_[Ca4La2Ta2O12]
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
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.7057]
_cell_length_b [5.9374... |
mp-1217246 | Ti2FeB2Ru3Rh2 | data_[Ti4Fe2B4Ru6Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_... |
mvc-13158 | CaVO3 | data_[Ca4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6825]
_cell_length_b [5.3815]
_cell_length_c [5.4376]
_cel... |
mp-19333 | Fe2B2O5 | data_[Fe4B4O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2835]
_cell_length_b [6.2584]
_cell_length_c [9.5346]
_cell_a... |
mp-1227242 | CeIn7Cu5 | data_[Ce2In14Cu10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.5075]
_cell_length_b [9.5713]
_cell_length_c [9.6006]
_... |
mp-1078736 | Pr(NiSb)2 | data_[Pr2Ni4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4756]
_cell_length_b [4.4756]
_cell_length_c [10.0950]
... |
mp-1220747 | Nb3Fe(Se4S)2 | data_[Nb3Fe1Se8S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.4197]
_cell_length_b [3.5008]... |
mp-1226870 | CeY(MgNi4)2 | data_[Ce3Y3Mg6Ni24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9447]
_cell_length_b [4.944... |
mp-1147558 | Ba4Mg(BiO4)3 | data_[Ba8Mg2Bi6O24]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6380]
_cell_length_b [8.6... |
mp-755357 | NdAsO4 | data_[Nd4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.3607]
_cell_length_b [7.3607]
_cell_length_c [6.5337]
... |
mp-7810 | UVC2 | data_[U4V4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
V 1.6300 1.3500 0.7775
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5601]
_cell_length_b [3.1912]
_cell_length_c [10.7784]
_cell_an... |
mp-4175 | ZnSnP2 | data_[Zn4Sn4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
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 [5.7066]
_cell_length_b [5.7066]
_cell_length_c [11.4380]
_ce... |
mp-1206783 | Ce2InCu2 | data_[Ce4In2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6554]
_cell_length_b [7.6554]
_cell_length_c [3.7989]
_... |
mp-1188550 | Ce2Co7 | data_[Ce12Co42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8787]
_cell_length_b [4.8787]
_cell_length_c [37.1347]
_cell_angle_alpha [90.0000]
_cel... |
mp-1223179 | LaCeIn6 | data_[La1Ce1In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7433]
_cell_length_b [4.7433]
_cell_length_c [9.5407]
_... |
mp-1219179 | Sm3TmS4 | data_[Sm3Tm1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9793]
_cell_length_b [5.6300]
_cell_length_c [7.9250]
_cell... |
mp-1219619 | RbLa2TaTi2O10 | data_[Rb2La4Ta2Ti4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a... |
mp-862950 | PmPd2Pb | data_[Pm4Pd8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0041]
_cell_length_b [7.0041]
_cell_length_c [7.0041]
_c... |
mp-31090 | Er2Pd2Pb | data_[Er4Pd4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9327]
_cell_length_b [7.9327]
_cell_length_c [3.5526]
_... |
mp-1223779 | HoAl7Fe5 | data_[Ho2Al14Fe10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0157]
_cell_length_b [8.6498]
_cell_length_c [8.6219]
_... |
mp-1215673 | ZnCr2(SeS)2 | data_[Zn8Cr16Se16S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.3326]
_cell_length_b [... |
mp-687081 | YbCoO3 | data_[Yb4Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3885]
_cell_length_b [7.3917]
_cell_length_c [5.1859]
_cel... |
mp-755258 | TmVO3 | data_[Tm4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6880]
_cell_length_b [7.6224]
_cell_length_c [5.2628]
_cell_... |
mp-1039090 | Ce2Mg | data_[Ce4Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.2535]
_cell_length_b [3.2535]
_cell_length_c [17.0338]
_cell_angle_alpha [90.0000]
_cell... |
mp-864651 | Ta2NbRu | data_[Ta8Nb4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4698]
_cell_length_b [6.4698]
_cell_length_c [6.4698]
_c... |
mp-1241 | BaAg2 | data_[Ba1Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9330]
_cell_length_b [4.9330]
_cell_length_c [4.3932]
_cell_angle_alpha [90.0000]
_cell... |
mp-7243 | LiSnPd2 | data_[Li4Sn4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3578]
_cell_length_b [6.3578]
_cell_length_c [6.3578]
_c... |
mp-23033 | Sr2NCl | data_[Sr6N3Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [3.9145]
_cell_length_b [3.9145]
_cell_length_c [21.3220]
_cel... |
mp-1188906 | Sm2Ga2Co15 | data_[Sm6Ga6Co45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4068]
_cell_length_b [8.4068]
_cell_length_c [12.3156]
_... |
mp-1188251 | Y(Co2B)6 | data_[Y3Co36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3926]
_cell_length_b [9.3926]
_cell_length_c [7.4194]
_cell... |
mvc-15707 | MgSbF6 | data_[Mg3Sb3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4857]
_cell_length_b [5.4857]
_cell_length_c [14.0347]
_cel... |
mp-644311 | CuPt | data_[Cu3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7465]
_cell_length_b [2.7465]
_cell_length_c [12.8626]
_cell_angle_alpha [90.0000]
_cell_... |
mp-979289 | TaW3 | data_[Ta4W12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4311]
_cell_length_b [6.4311]
_cell_length_c [6.4311]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-983234 | Sm2Ge5Ir3 | data_[Sm8Ge20Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.2886]
_cell_length_b [11.9239]
_cell_length_c [6.0940]... |
mp-22236 | In3Co | data_[In12Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.8994]
_cell_length_b [6.8994]
_cell_length_c [7.1448]
_cell_angle_alpha [90.0000]
_c... |
mp-1184634 | Ho2ZnAg | data_[Ho8Zn4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1843]
_cell_length_b [7.1843]
_cell_length_c [7.1843]
_c... |
mp-542817 | UPt | data_[U8Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7732]
_cell_length_b [10.6692]
_cell_length_c [5.8162]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1216007 | YZr2Ni15 | data_[Y1Zr2Ni15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7771]
_cell_length_b [4.7771]
_cell_length_c [11.6987]
_ce... |
mp-23058 | NdClO | data_[Nd2Cl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0730]
_cell_length_b [4.0730]
_cell_length_c [6.8435]
_ce... |
mp-976713 | HoH2ClO2 | data_[Ho2H4Cl2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1830]
_cell_length_b [3.618... |
mp-582293 | TbInNi | data_[Tb3In3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4907]
_cell_length_b [7.4907]
_cell_length_c [3.7842]
_c... |
mp-5716 | Ba(Mo3S4)2 | data_[Ba1Mo6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6585]
_cell_length_b [6.7316]
_cell_length_c [6.7947]
_cell_... |
mp-1567 | ThNi5 | data_[Th1Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9230]
_cell_length_b [4.9230]
_cell_length_c [4.0007]
_cell_angle_alpha [90.0000]
_cell... |
mp-1078142 | DyIn5Co | data_[Dy1In5Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5671]
_cell_length_b [4.5671]
_cell_length_c [7.4736]
_... |
mp-1219929 | Pr2Al3Ge | data_[Pr2Al3Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3297]
_cell_length_b [4.3633]
_cell_length_c [7.5448]
_ce... |
mp-1346 | B6O | data_[B36O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3935]
_cell_length_b [5.3935]
_cell_length_c [12.3189]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-568628 | CsHg5Cl11 | data_[Cs2Hg10Cl22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4959]
_cell_length_b [14.8867]
_cell_length_c [6.9409]... |
mp-863711 | ErGaRh2 | data_[Er4Ga4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4334]
_cell_length_b [6.4334]
_cell_length_c [6.4334]
_c... |
mp-867820 | LiAlPd2 | data_[Li4Al4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0455]
_cell_length_b [6.0455]
_cell_length_c [6.0455]
_c... |
mp-861965 | Ho2RuRh | data_[Ho8Ru4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7860]
_cell_length_b [6.7860]
_cell_length_c [6.7860]
_c... |
mp-760408 | LiZnO2 | data_[Li4Zn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.1911]
_cell_length_b [4.1911]
_cell_length_c [8.5719]
_... |
mp-8881 | AlAs | data_[Al2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.0455]
_cell_length_b [4.0455]
_cell_length_c [6.6492]
_cell_angle_alpha [90.0000]
_cell... |
mp-30572 | Hf2Ga | data_[Hf8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7121]
_cell_length_b [6.7121]
_cell_length_c [5.2915]
_cell_angle_alpha [90.0000]
_cell... |
mp-1018696 | EuCdPb | data_[Eu2Cd2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.0941]
_cell_length_b [5.0941]
_cell_length_c [7.9843]
_... |
mp-1174169 | Li4Mn3CoO8 | data_[Li8Mn6Co2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8692]
_cell_length_b [2.85... |
mp-13154 | Fe3C | data_[Fe6C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [4.6617]
_cell_length_b [4.6617]
_cell_length_c [4.3203]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-29009 | Li2MgBr4 | data_[Li4Mg2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8606]
_cell_length_b [11.1382]
_cell_length_c [3.8905]
_c... |
mp-1019319 | TcN | data_[Tc3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0544]
_cell_length_b [4.0544]
_cell_length_c [4.0544]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1189631 | Ce(In2Ni)3 | data_[Ce2In12Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4111]
_cell_length_b [7.7049]
_cell_length_c [11.8706]
_... |
mp-867920 | K2Rh2O5 | data_[K2Rh2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8909]
_cell_length_b [3.8909]
_cell_length_c [8.7204]
_cell... |
mp-568509 | Er(CoB)2 | data_[Er2Co4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5390]
_cell_length_b [3.5390]
_cell_length_c [9.2211]
_ce... |
mp-639910 | Y(Sn3Ru2)2 | data_[Y2Sn12Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.9151]
_cell_length_b [6.9151]
_cell_length_c [9.9034]
_ce... |
mp-23751 | CsMgH3 | data_[Cs9Mg9H27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2573]
_cell_length_b [6.2573]
_cell_length_c [22.3846]
_ce... |
mp-1226683 | CeAlNi4 | data_[Ce1Al1Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.1146]
_cell_length_b [5.1146]
_cell_length_c [3.8997]
_c... |
mp-1114462 | Rb2NaTlBr6 | data_[Rb8Na4Tl4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3917]
_cell_length_b [... |
mp-1111570 | K2TlRuF6 | data_[K8Tl4Ru4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2491]
_cell_length_b [9.249... |
mp-20001 | SrSnPt | data_[Sr4Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7325]
_cell_length_b [4.7703]
_cell_length_c [8.1118]
_ce... |
mp-9295 | TaCu3Te4 | data_[Ta1Cu3Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.9876]
_cell_length_b [5.9876]
_cell_length_c [5.9876]
_c... |
mp-510321 | Zr5AlSn3 | data_[Zr10Al2Sn6]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.7447]
_cell_length_b [8.7447]
_cell_length_c [5.9174... |
mp-1005755 | SmGe2Pt | data_[Sm8Ge16Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4121]
_cell_length_b [8.8140]
_cell_length_c [16.5012]
_... |
mp-1207033 | Yb2NiGe6 | data_[Yb4Ni2Ge12]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1252]
_cell_length_b [3.9184]
_cell_length_c [22.0720]
_... |
mp-754812 | Al2O3 | data_[Al8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2634]
_cell_length_b [3.1996]
_cell_length_c [7.2682]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104772 | Yb(MnGe)6 | data_[Yb1Mn6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1860]
_cell_length_b [5.1860]
_cell_length_c [8.1319]
_... |
mp-30780 | SrMgSn | data_[Sr4Mg4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2353]
_cell_length_b [4.9027]
_cell_length_c [8.9419]
_ce... |
mp-27420 | NaBiF6 | data_[Na3Bi3F18]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5061]
_cell_length_b [5.5061]
_cell_length_c [15.6260]
_cel... |
mp-1206595 | LiTiSe2 | data_[Li1Ti1Se2]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6611]
_cell_length_b [3.6611]
_cell_length_c [6.4978]
_c... |
mp-1228975 | Al2Cr3CuS8 | data_[Al6Cr9Cu3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.0551]
_cell_length_b [7.055... |
mp-567402 | CdI2 | data_[Cd6I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3320]
_cell_length_b [4.3320]
_cell_length_c [44.4566]
_cell_angle_alpha [90.0000]
_cell_... |
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