Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-863111 | LiV2CrO6 | data_[Li3V6Cr3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.0381]
_cell_length_b [5.0381]
... |
mp-541073 | SmSI | data_[Sm6S6I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6060]
_cell_length_b [4.6060]
_cell_length_c [33.4160]
_cell_... |
mp-1224641 | GdSiPd | data_[Gd4Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2452]
_cell_length_b [4.3486]
_cell_length_c [7.1371]
_c... |
mp-753218 | NaV2O5 | data_[Na4V8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6913]
_cell_length_b [11.2060]
_cell_length_c [11.4239]
_cel... |
mp-1207572 | YbAlRh | data_[Yb4Al4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0694]
_cell_length_b [4.0678]
_cell_length_c [7.8851]
_ce... |
mp-972517 | SmY3 | data_[Sm2Y6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0838]
_cell_length_b [5.0838]
_cell_length_c [10.1740]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1101900 | LuCo3 | data_[Lu9Co27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9204]
_cell_length_b [4.9204]
_cell_length_c [24.1663]
_cell_angle_alpha [90.0000]
_cell... |
mp-756002 | Li2TiFe2O5 | data_[Li4Ti2Fe4O10]
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 [5.2987]
_cell_length_b [5.3028... |
mp-763319 | V3O5F | data_[V12O20F4]
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 [Cm]
_cell_length_a [8.9423]
_cell_length_b [6.4775]
_cell_length_c [7.3296]
_cell_ang... |
mp-1520930 | Eu2ZrCrO6 | data_[Eu8Zr4Cr4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0623]
_cell_length_b [8.0... |
mp-1026983 | Te2Mo2SeS | data_[Te4Mo4Se2S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3989]
_cell_length_b [3.398... |
mp-972937 | ScAlCO | data_[Sc6Al6C6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2880]
_cell_length_b [3.2880]... |
mp-1206518 | RbFeCl3 | data_[Rb1Fe1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9890]
_cell_length_b [4.9890]
_cell_length_c [4.9890]
_c... |
mp-1451 | NbNi3 | data_[Nb2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2597]
_cell_length_b [5.1119]
_cell_length_c [4.5837]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1225198 | Fe(B2Mo)2 | data_[Fe2B8Mo4]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0343]
_cell_length_b [3.1307]
_cell_length_c [13.3976]
_cel... |
mp-754154 | CsHoO2 | data_[Cs2Ho2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ho 1.2300 1.7500 1.0410
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5442]
_cell_length_b [3.5442]
_cell_length_c [13.7534]
... |
mp-28219 | TlCdBr3 | data_[Tl4Cd4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.6402]
_cell_length_b [4.2198]
_cell_length_c [15.7814]
_... |
mp-780865 | Co3OF5 | data_[Co6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.6980]
_cell_length_b [4.7437]
_cell_length_c [7.9116]
_cell_... |
mp-1218426 | Sr3MnRuO7 | data_[Sr6Mn2Ru2O14]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9519]
_cell_length_b [3.95... |
mp-999269 | RbSmTe2 | data_[Rb3Sm3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6085]
_cell_length_b [4.6085]
_cell_length_c [25.6330]
_c... |
mp-1189081 | Ho6Ni2Sn | data_[Ho24Ni8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3290]
_cell_length_b [9.5871]
_cell_length_c [10.0364]
_... |
mp-630511 | Ca2FeClO3 | data_[Ca4Fe2Cl2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
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 [3.9014]
_cell_length_b [3.9... |
mp-1221399 | Na2AlFe(SiO3)4 | data_[Na4Al2Fe2Si8O24]
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
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a... |
mp-561922 | LaCoO3 | data_[La4Co4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4858]
_cell_length_b [5.5909]
_cell_length_c [7.7755]
_cell... |
mp-1189354 | Nd(Sb3Ru)4 | data_[Nd2Sb24Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.3915]
_cell_length_b [9.3915]
_cell_length_c [9.3915]
_c... |
mp-1224018 | Ho4CdSe7 | data_[Ho8Cd2Se14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2852]
_cell_length_b [3.9870]
_cell_length_c [12.1326]
_c... |
mp-1186204 | NaYb3 | data_[Na2Yb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6920]
_cell_length_b [7.6920]
_cell_length_c [6.3020]
_cell_angle_alpha [90.0000]
_ce... |
mp-1227142 | CaNdFeO4 | data_[Ca4Nd4Fe4O16]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4610]
_cell_length_b [12... |
mp-11488 | LaTl | data_[La1Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9940]
_cell_length_b [3.9940]
_cell_length_c [3.9940]
_cell_angle_alpha [90.0000]
_cell_... |
mp-862894 | AcSbAu2 | data_[Ac4Sb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4499]
_cell_length_b [7.4499]
_cell_length_c [7.4499]
_c... |
mp-865212 | Fe3Re | data_[Fe6Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0945]
_cell_length_b [5.0945]
_cell_length_c [4.0597]
_cell_angle_alpha [90.0000]
_ce... |
mp-606949 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.4672]
_cell_length_b [2.4672]
_cell_length_c [31.9830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-29016 | SrThBr6 | data_[Sr2Th2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Th 1.3000 1.8000 1.0800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.3786]
_cell_length_b [4.2855]
_cell_length_c [13.4706]
_... |
mp-35647 | Zn2PtO4 | data_[Zn8Pt4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9831]
_cell_length_b [6.2219]
_cell_length_c [8.8170]
_cel... |
mp-571527 | Cs2LiInCl6 | data_[Cs12Li6In6Cl36]
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
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4725]
_cell_length_b [7... |
mp-542251 | LaCdAu | data_[La3Cd3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9700]
_cell_length_b [7.9700]
_cell_length_c [4.2195]
_c... |
mp-999460 | NaScS2 | data_[Na3Sc3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7698]
_cell_length_b [3.7698]
_cell_length_c [19.8775]
_cel... |
mp-865864 | Tm(Al2Cu)4 | data_[Tm2Al16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7875]
_cell_length_b [8.7875]
_cell_length_c [5.1198]
... |
mp-316 | MnV | data_[Mn1V1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [2.8740]
_cell_length_b [2.8740]
_cell_length_c [2.8740]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1214004 | CaThI6 | data_[Ca2Th2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Th 1.3000 1.8000 1.0800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.7367]
_cell_length_b [7.7367]
_cell_length_c [14.3508]
_c... |
mp-731 | Mg3Hg | data_[Mg6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8971]
_cell_length_b [4.8971]
_cell_length_c [8.6389]
_cell_angle_alpha [90.0000]
_ce... |
mp-1773 | ReB2 | data_[Re2B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9170]
_cell_length_b [2.9170]
_cell_length_c [7.5035]
_cell_angle_alpha [90.0000]
_cell... |
mp-1224240 | HfUC2 | data_[Hf3U3C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
U 1.3800 1.7500 0.9913
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3687]
_cell_length_b [3.3687]
_cell_length_c [16.8820]
_cell_... |
mp-675925 | Ce2PbS4 | data_[Ce8Pb4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.7112]
_cell_length_b [8.7112]
_cell_length_c [8.7317]
_ce... |
mp-1228354 | Ba2TiVS6 | data_[Ba2Ti1V1S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.8116]
_cell_length_b [6.8116... |
mp-861 | Hf2Ni | data_[Hf8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.4090]
_cell_length_b [6.4090]
_cell_length_c [5.2315]
_cell_angle_alpha [90.0000]
_cell... |
mp-6633 | NaCSN | data_[Na4C4S4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.6097]
_cell_length_b [4.1214]
... |
mp-11023 | ScAuO2 | data_[Sc2Au2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2687]
_cell_length_b [3.2687]
_cell_length_c [12.3061]
... |
mp-1227042 | CaGaSi | data_[Ca1Ga1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1466]
_cell_length_b [4.1466]
_cell_length_c [4.4159]
_c... |
mp-762649 | Na3LiMn5O9 | data_[Na3Li1Mn5O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3411]
_cell_length_b [5.3513]... |
mp-31420 | CeAgSn | data_[Ce2Ag2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.8506]
_cell_length_b [4.8506]
_cell_length_c [7.5105]
_... |
mp-27830 | Cs2SeCl6 | data_[Cs8Se4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6722]
_cell_length_b [10.6722]
_cell_length_c [10.6722... |
mp-754265 | Li2MgMn3O8 | data_[Li6Mg3Mn9O24]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8385]
_cell_length_b [5.83... |
mp-1228972 | AlCoNi6 | data_[Al1Co1Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5228]
_cell_length_b [3.5228]
_cell_length_c [7.0729]
_... |
mp-867969 | LiGdHg2 | data_[Li4Gd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2154]
_cell_length_b [7.2154]
_cell_length_c [7.2154]
_c... |
mp-1186188 | NaTlHg2 | data_[Na4Tl4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5979]
_cell_length_b [7.5979]
_cell_length_c [7.5979]
_c... |
mp-1178388 | CsTlO2 | data_[Cs2Tl2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6058]
_cell_length_b [3.6058]
_cell_length_c [13.5032]
... |
mp-758371 | YbAlO3 | data_[Yb1Al1O3]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7102]
_cell_length_b [3.7102]
_cell_length_c [3.7102]
_cel... |
mp-1025218 | SiPt5Pb | data_[Si1Pt5Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0306]
_cell_length_b [4.0306]
_cell_length_c [7.2996]
_... |
mp-2210 | ZrCu | data_[Zr1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.2733]
_cell_length_b [3.2733]
_cell_length_c [3.2733]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183743 | CeZnAu2 | data_[Ce4Zn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9795]
_cell_length_b [6.9795]
_cell_length_c [6.9795]
_c... |
mp-861889 | Sc3Tc | data_[Sc6Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2523]
_cell_length_b [6.2523]
_cell_length_c [4.7795]
_cell_angle_alpha [90.0000]
_ce... |
mp-1079116 | Mg7Sc | data_[Mg28Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0619]
_cell_length_b [9.0619]
_cell_length_c [9.0619]
_cell_angle_alpha [90.0000]
_cell... |
mp-571609 | HfGaPt | data_[Hf6Ga6Pt6]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62c]
_cell_length_a [7.1782]
_cell_length_b [7.1782]
_cell_length_c [7.0667]
_c... |
mp-1105386 | YbH3CN3 | data_[Yb2H6C2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [5.2103]
_cell_length_b [5.2103]... |
mp-864642 | HoSnRh2 | data_[Ho4Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6480]
_cell_length_b [6.6480]
_cell_length_c [6.6480]
_c... |
mp-862662 | LaMgZn2 | data_[La4Mg4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0717]
_cell_length_b [7.0717]
_cell_length_c [7.0717]
_c... |
mp-1112116 | Cs2RbTlBr6 | data_[Cs8Rb4Tl4Br24]
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
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 [12.1117]
_cell_length_b [... |
mp-1069950 | Pr2AlNi2 | data_[Pr4Al2Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1409]
_cell_length_b [5.4816]
_cell_length_c [8.5588]
_ce... |
mp-975065 | Re | data_[Re9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7850]
_cell_length_b [2.7850]
_cell_length_c [20.2049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1189091 | K3B6ClO10 | data_[K9B18Cl3O30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
B 2.0400 0.8500 0.4100
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.1591]
_cell_length_b [10.1591... |
mp-573568 | K2TcI6 | data_[K4Tc2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tc 1.9000 1.3500 0.7417
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0074]
_cell_length_b [8.0679]
_cell_length_c [14.0806]
_ce... |
mp-1226189 | CrP2W | data_[Cr2P4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.1686]
_cell_length_b [6.1504]
_cell_length_c [5.5208]
_cell... |
mp-1185314 | LiCd2Cu | data_[Li4Cd8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4758]
_cell_length_b [6.4758]
_cell_length_c [6.4758]
_c... |
mp-568769 | LaCo2 | data_[La8Co16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3506]
_cell_length_b [7.3506]
_cell_length_c [7.3506]
_cell_angle_alpha [90.0000]
_cell... |
mp-865521 | LuI3 | data_[Lu2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [11.1771]
_cell_length_b [11.1771]
_cell_length_c [3.9233]
_cell_angle_alpha [90.0000]
_ce... |
mp-30481 | CaPt5 | data_[Ca1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3988]
_cell_length_b [5.3988]
_cell_length_c [4.4311]
_cell_angle_alpha [90.0000]
_cell... |
mp-1174046 | Li3MnCoO5 | data_[Li12Mn4Co4O20]
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]
_cell_length_a [5.0269]
_cell_length_b [14.60... |
mp-5782 | AlAgS2 | data_[Al4Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.7561]
_cell_length_b [5.7561]
_cell_length_c [10.4920]
_ce... |
mp-971982 | Tm2ZnCu | data_[Tm8Zn4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9389]
_cell_length_b [6.9389]
_cell_length_c [6.9389]
_c... |
mp-865715 | Li2PrTl | data_[Li8Pr4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0565]
_cell_length_b [7.0565]
_cell_length_c [7.0565]
_c... |
mp-1104317 | Lu(GaFe)6 | data_[Lu2Ga12Fe12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0351]
_cell_length_b [8.4966]
_cell_length_c [8.6548]
_... |
mp-850189 | LiVSnO4 | data_[Li4V4Sn4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0498]
_cell_length_b [6.2786... |
mp-568541 | Dy2B4C | data_[Dy4B8C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2797]
_cell_length_b [6.5625]
_cell_length_c [7.5485]
_cell_a... |
mp-972120 | Sr(GaAs)2 | data_[Sr4Ga8As8]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.6846]
_cell_length_b [4.0982]
_cell_length_c [12.6500]
_c... |
mp-1101079 | TmCoGe | data_[Tm4Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7768]
_cell_length_b [4.1902]
_cell_length_c [7.1983]
_ce... |
mp-568656 | SiC | data_[Si10C10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.0947]
_cell_length_b [3.0947]
_cell_length_c [25.3091]
_cell_angle_alpha [90.0000]
_cell_... |
mp-755748 | TiVO4 | data_[Ti2V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [3.7876]
_cell_length_b [3.7876]
_cell_length_c [9.6910]
_cell_... |
mp-1112891 | Cs2InAsI6 | data_[Cs8In4As4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2471]
_cell_length_b [12... |
mp-2432 | CaMg2 | data_[Ca4Mg8]
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 [P6_3/mmc]
_cell_length_a [6.2646]
_cell_length_b [6.2646]
_cell_length_c [10.0074]
_cell_angle_alpha [90.0000]
_c... |
mp-558071 | RbS | data_[Rb4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0768]
_cell_length_b [6.8905]
_cell_length_c [8.7903]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1071278 | CaSnAu | data_[Ca4Sn4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.8140]
_cell_length_b [7.3861]
_cell_length_c [8.3215]
_ce... |
mp-1213021 | Eu2MgPtO6 | data_[Eu4Mg2Pt2O12]
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
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5427]
_cell_length_b [5.... |
mp-764280 | Li2MnF4 | data_[Li4Mn2F8]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.0497]
_cell_length_b [10.0988]
_cell_length_c [3.1470]
_cel... |
mp-1079017 | CeCdCu | data_[Ce3Cd3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5207]
_cell_length_b [7.5207]
_cell_length_c [4.0755]
_c... |
mp-754759 | Y2O3 | data_[Y12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.8288]
_cell_length_b [5.8288]
_cell_length_c [15.2638]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1095188 | CaNiGeH | data_[Ca2Ni2Ge2H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0163]
_cell_length_b [4.0... |
mp-1100994 | TlCu7Se4 | data_[Tl1Cu7Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0084]
_cell_length_b [7.5867]
_cell_length_c [7.6813]
_cell... |
mp-1079776 | Hf2Co7 | data_[Hf4Co14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.6688]
_cell_length_b [8.2348]
_cell_length_c [6.2633]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226943 | Ce4Zn3Sb8 | data_[Ce4Zn3Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4621]
_cell_length_b [4.4621]
_cell_length_c [19.9646]
_... |
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