Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1225086 | Er(MnAl)6 | data_[Er2Mn12Al12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9200]
_cell_length_b [8.5668]
_cell_length_c [8.7843]
_... |
mp-20336 | USn3 | data_[U1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6340]
_cell_length_b [4.6340]
_cell_length_c [4.6340]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-27994 | HgBrO3 | data_[Hg8Br8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.1903]
_cell_length_b [4.7280]
_cell_length_c [9.0724]
_ce... |
mp-1094288 | Sr2Mg | data_[Sr4Mg2]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0307]
_cell_length_b [4.2660]
_cell_length_c [14.8339]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1018697 | EuCdSn | data_[Eu2Cd2Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.9923]
_cell_length_b [4.9923]
_cell_length_c [7.8563]
_... |
mp-561400 | NaZr2AgF11 | data_[Na1Zr2Ag1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8110]
_cell_length_b [5.973... |
mp-1206817 | TlVCl3 | data_[Tl2V2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0393]
_cell_length_b [7.0393]
_cell_length_c [6.2580]
_... |
mp-1245535 | CdGeN2 | data_[Cd4Ge4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.6864]
_cell_length_b [6.9543]
_cell_length_c [5.4923]
_ce... |
mp-1273610 | Ba2YMn3O7 | data_[Ba2Y1Mn3O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9471]
_cell_length_b [4.0724]... |
mp-669578 | Rb2Gd4Cu4S9 | data_[Rb2Gd4Cu4S9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0011]
_cell_length_b [7.2709... |
mp-1186519 | PrEuAg2 | data_[Pr4Eu4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5652]
_cell_length_b [7.5652]
_cell_length_c [7.5652]
_c... |
mp-779959 | Li3Co2(NiO4)2 | data_[Li3Co2Ni2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6793]
_cell_length_b [5.7380... |
mp-754612 | Mn6O7F5 | data_[Mn6O7F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7461]
_cell_length_b [9.1350]
_cell_length_c [4.7646]
_cell_ang... |
mp-865600 | Y2IrPd | data_[Y8Ir4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9530]
_cell_length_b [6.9530]
_cell_length_c [6.9530]
_cel... |
mp-981200 | Zn3Cd | data_[Zn6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0752]
_cell_length_b [4.0752]
_cell_length_c [8.3275]
_cell_angle_alpha [90.0000]
_cell... |
mp-989542 | Ba6Tl2NCl | data_[Ba24Tl8N4Cl4]
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
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.7284]
_cell_length_b [11... |
mp-1217770 | Ta2AgS4 | data_[Ta2Ag1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3809]
_cell_length_b [3.3809]
_cell_length_c [14.0088]
_ce... |
mp-1188414 | SrTcO3 | data_[Sr4Tc4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6218]
_cell_length_b [7.9564]
_cell_length_c [5.6570]
_cel... |
mp-1183583 | CaYZn2 | data_[Ca4Y4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2449]
_cell_length_b [7.2449]
_cell_length_c [7.2449]
_cel... |
mp-1112481 | K2LaAgCl6 | data_[K8La4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9851]
_cell_length_b [10... |
mp-1218952 | SnPbS2 | data_[Sn3Pb3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1929]
_cell_length_b [4.1929]
_cell_length_c [20.5600]
_cel... |
mp-8857 | Cs2As2Pd | data_[Cs8As8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1903]
_cell_length_b [15.3226]
_cell_length_c [6.4788]
_c... |
mp-738 | Sb2Au | data_[Sb8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.7910]
_cell_length_b [6.7910]
_cell_length_c [6.7910]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1214412 | Ba4Rh | data_[Ba32Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [13.1683]
_cell_length_b [13.1683]
_cell_length_c [13.1683]
_cell_angle_alpha [90.0000]
_c... |
mp-1223292 | La2(CuNi)5 | data_[La2Cu5Ni5]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9615]
_cell_length_b [5.1067]
_cell_length_c [8.8119]
_ce... |
mp-1224814 | Ga2CuAgS4 | data_[Ga4Cu2Ag2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
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 [5.5672]
_cell_length_b [5.5672... |
mp-696944 | LaHBr2 | data_[La2H2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1378]
_cell_length_b [4.1378]
_cell_length_c [14.8397]
... |
mp-1225143 | Gd(SiNi5)2 | data_[Gd2Si4Ni20]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7387]
_cell_length_b [7.9453]
_cell_length_c [8.2050]
_c... |
mp-864662 | HoCl3 | data_[Ho2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [9.9220]
_cell_length_b [9.9220]
_cell_length_c [3.5865]
_cell_angle_alpha [90.0000]
_ce... |
mp-1215684 | Zn3CdGa2(AgS4)2 | data_[Zn3Cd1Ga2Ag2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a ... |
mp-1208319 | TbTiClO3 | data_[Tb4Ti4Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8523]
_cell_length_b [3.93... |
mp-1077034 | NdMgSn | data_[Nd4Mg4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5167]
_cell_length_b [4.5167]
_cell_length_c [16.2248]
... |
mp-1093999 | Zn2Ag | data_[Zn8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1154]
_cell_length_b [5.1154]
_cell_length_c [8.3593]
_cell_angle_alpha [90.0000]
_ce... |
mp-1246445 | MgMnAlS4 | data_[Mg4Mn4Al4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2772]
_cell_length_b [7.31... |
mp-1222867 | Li3CeGa8 | data_[Li3Ce1Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.3445]
_cell_length_b [4.3445]
_cell_length_c [13.8397]
... |
mp-14292 | Ba2NdSbO6 | data_[Ba8Nd4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6794]
_cell_length_b [8.6... |
mp-974221 | HoErTl2 | data_[Ho4Er4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5554]
_cell_length_b [7.5554]
_cell_length_c [7.5554]
_c... |
mp-672671 | PbI2 | data_[Pb9I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6824]
_cell_length_b [4.6824]
_cell_length_c [65.8380]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1220267 | Nd4Co3Ge8 | data_[Nd4Co3Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1994]
_cell_length_b [4.2558]
_cell_length_c [16.6097]
_c... |
mp-19759 | BaYCo2O5 | data_[Ba1Y1Co2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9079]
_cell_length_b [3.907... |
mp-7876 | Ba(MgGe)2 | data_[Ba2Mg4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7005]
_cell_length_b [4.7005]
_cell_length_c [11.4728]
... |
mp-505331 | CeMnSi | data_[Ce2Mn2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1118]
_cell_length_b [4.1118]
_cell_length_c [6.5983]
_... |
mp-865205 | Dy2Ni7 | data_[Dy12Ni42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9219]
_cell_length_b [4.9219]
_cell_length_c [36.0810]
_cell_angle_alpha [90.0000]
_cel... |
mp-1186601 | PmGd3 | data_[Pm1Gd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0527]
_cell_length_b [5.0527]
_cell_length_c [5.0527]
_cell_angle_alpha [90.0000]
_cell_... |
mp-31181 | Er3Al2 | data_[Er12Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.1594]
_cell_length_b [8.1594]
_cell_length_c [7.5367]
_cell_angle_alpha [90.0000]
_c... |
mp-1030235 | Te3MoWSe | data_[Te6Mo2W2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5005]
_cell_length_b [3.500... |
mp-570119 | Yb7Au3 | data_[Yb14Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.3429]
_cell_length_b [10.3429]
_cell_length_c [6.4926]
_cell_angle_alpha [90.0000]
_c... |
mp-10198 | Mn3PdN | data_[Mn3Pd1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9428]
_cell_length_b [3.9428]
_cell_length_c [3.9428]
_cel... |
mp-752921 | LiMn4O8 | data_[Li2Mn8O16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1598]
_cell_length_b [5.8547]
_cell_length_c [5.8303]
_ce... |
mp-779105 | Cu6OF11 | data_[Cu6O1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2761]
_cell_length_b [6.4303]
_cell_length_c [10.3957]
_cell_a... |
mp-752605 | LiAgF3 | data_[Li8Ag8F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8576]
_cell_length_b [9.3633]
_cell_length_c [6.0606]
_cel... |
mp-753413 | Ba2B2O5 | data_[Ba4B4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [4.2253]
_cell_length_b [6.7649]
_cell_length_c [11.0721]
_cell_... |
mp-560311 | Na3FeF6 | data_[Na6Fe2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5706]
_cell_length_b [5.8161]
_cell_length_c [9.7796]
_c... |
mp-1186751 | PrHoTl2 | data_[Pr4Ho4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7246]
_cell_length_b [7.7246]
_cell_length_c [7.7246]
_c... |
mp-1219570 | RbSbWO6 | data_[Rb4Sb4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.3035]
_cell_length_b [10.484... |
mp-10454 | SmTiGe | data_[Sm4Ti4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1036]
_cell_length_b [4.1036]
_cell_length_c [15.8255]
... |
mp-8125 | LuCuSi | data_[Lu2Cu2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1078]
_cell_length_b [4.1078]
_cell_length_c [7.2173]... |
mp-646007 | Cs2Tb6Te7N2 | data_[Cs4Tb12Te14N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tb 1.1000 1.7500 0.9815
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [24.2878]
_cell_length_b [4.22... |
mp-574159 | CeAs2Pd3 | data_[Ce6As12Pd18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8012]
_cell_length_b [4.1466]
_cell_length_c [10.0971]... |
mp-1224022 | HoAlFe | data_[Ho8Al8Fe8]
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 [Amm2]
_cell_length_a [8.6873]
_cell_length_b [5.3751]
_cell_length_c [9.1436]
_ce... |
mp-1220894 | NaSr2NdTi4O12 | data_[Na1Sr2Nd1Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-42m]
_cell_lengt... |
mp-1821 | WSe2 | data_[W2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3271]
_cell_length_b [3.3271]
_cell_length_c [15.0690]
_cell_angle_alpha [90.0000]
_cel... |
mp-1185823 | MgAg2 | data_[Mg4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0902]
_cell_length_b [14.9496]
_cell_length_c [4.7762]
_cell_angle_alpha [90.0000]
_cell_... |
mp-762304 | BiOF | data_[Bi4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8303]
_cell_length_b [5.8723]
_cell_length_c [6.0798]
_cell... |
mp-12763 | TbB6 | data_[Tb1B6]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0998]
_cell_length_b [4.0998]
_cell_length_c [4.0998]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1079940 | Sr3CaO4 | data_[Sr3Ca1O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1286]
_cell_length_b [5.1286]
_cell_length_c [5.1286]
_cel... |
mp-25317 | 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]
_cell_length_a [4.6803]
_cell_length_b [9.4622]
_cell_length_c [4.7027]
_cell_a... |
mp-1223925 | HoFeRu | data_[Ho4Fe4Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.0882]
_cell_length_b [5.3470]
_cell_length_c [7.1895]
_ce... |
mp-30337 | Al5W | data_[Al10W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [4.9154]
_cell_length_b [4.9154]
_cell_length_c [8.8753]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9102 | RbVP2S7 | data_[Rb2V2P4S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.6806]
_cell_length_b [9.7811]
_c... |
mp-20874 | EuB6 | data_[Eu1B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1705]
_cell_length_b [4.1705]
_cell_length_c [4.1705]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1112890 | Cs2InBiI6 | data_[Cs8In4Bi4I24]
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
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.7091]
_cell_length_b [12... |
mp-752882 | LiAgF2 | data_[Li4Ag4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.6989]
_cell_length_b [7.2175]
_cell_length_c [5.5788]
_ce... |
mp-753622 | VOF | data_[V4O4F4]
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 [P2_1/c]
_cell_length_a [5.2263]
_cell_length_b [4.6750]
_cell_length_c [5.7134]
_cell_a... |
mp-13474 | LiErGe | data_[Li3Er3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0103]
_cell_length_b [7.0103]
_cell_length_c [4.2301]
_c... |
mp-36662 | Ho(Mo3S4)2 | data_[Ho3Mo18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.1272]
_cell_length_b [9.1272]
_cell_length_c [11.3637]
_ce... |
mp-1215694 | YZnCuAs2 | data_[Y1Zn1Cu1As2]
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
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1182]
_cell_length_b [4.118... |
mp-756943 | LiVNiO4 | data_[Li4V4Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8344]
_cell_length_b [5.9508... |
mp-11313 | ZrCd3 | data_[Zr1Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4321]
_cell_length_b [4.4321]
_cell_length_c [4.4321]
_cell_angle_alpha [90.0000]
_cell_... |
mp-980109 | SnAu3 | data_[Sn2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0384]
_cell_length_b [6.0384]
_cell_length_c [4.9993]
_cell_angle_alpha [90.0000]
_ce... |
mp-23550 | KBrF4 | data_[K4Br4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.3015]
_cell_length_b [6.3015]
_cell_length_c [11.2882]
_ce... |
mp-1186953 | Sc2ZnAg | data_[Sc8Zn4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
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 [6.8033]
_cell_length_b [6.8033]
_cell_length_c [6.8033]
_c... |
mp-1185131 | LaPmMg2 | data_[La4Pm4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8081]
_cell_length_b [7.8081]
_cell_length_c [7.8081]
_c... |
mp-1221748 | Mn8Nb3Al | data_[Mn8Nb3Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7712]
_cell_length_b [4.7712]
_cell_length_c [7.8783]
_ce... |
mp-7570 | RuF3 | data_[Ru6F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.0842]
_cell_length_b [5.0842]
_cell_length_c [13.9481]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1102212 | SmAlPd | data_[Sm4Al4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0102]
_cell_length_b [4.5320]
_cell_length_c [7.9070]
_ce... |
mp-21273 | FeTe | data_[Fe2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6560]
_cell_length_b [3.6560]
_cell_length_c [6.5145]
_cell_angle_alpha [90.0000]
_cell... |
mp-34148 | Li2MnCl4 | data_[Li8Mn4Cl16]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5132]
_cell_length_b [7.5304]
_cell_length_c [10.4341]
_... |
mp-1220436 | NbSi4Mo | data_[Nb3Si12Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.7221]
_cell_length_b [13.1368]
_cell_length_c [4.7372]
_ce... |
mp-755498 | Li7(CoO3)2 | data_[Li7Co2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2886]
_cell_length_b [5.3524]
_cell_length_c [5.8470]
_cell_a... |
mp-1105543 | Tb5Pt3 | data_[Tb10Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4518]
_cell_length_b [8.4518]
_cell_length_c [6.2935]
_cell_angle_alpha [90.0000]
_c... |
mp-1219447 | SbPbIO2 | data_[Sb2Pb2I2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9860]
_cell_length_b [3.9860]... |
mp-23302 | RbI | data_[Rb1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4875]
_cell_length_b [4.4875]
_cell_length_c [4.4875]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-984806 | Ba2PrRuO6 | data_[Ba4Pr2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [P2_1/c]
_cell_length_a [6.0734]
_cell_length_b [6.... |
mp-639150 | BaIn4Ir | data_[Ba2In8Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.7455]
_cell_length_b [4.4721]
_cell_length_c [8.0697]
_ce... |
mp-1205669 | Ba2YMoO6 | data_[Ba8Y4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5125]
_cell_length_b [8.512... |
mp-1104014 | Mn2ZnTe4 | data_[Mn16Zn8Te32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.5408]
_cell_length_b [11.5408]
_cell_length_c [11.540... |
mp-18756 | BaTm2NiO5 | data_[Ba2Tm4Ni2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7704]
_cell_length_b [5.74... |
mp-1183224 | AgAu3 | data_[Ag2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1525]
_cell_length_b [4.1525]
_cell_length_c [8.4340]
_cell_angle_alpha [90.0000]
_cell... |
mp-1187085 | Sr2LiGa | data_[Sr8Li4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9839]
_cell_length_b [7.9839]
_cell_length_c [7.9839]
_c... |
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