Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-755557 | Mg(NiO2)2 | data_[Mg4Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.6836]
_cell_length_b [5.6836]
_cell_length_c [8.9266]
... |
mp-972521 | SmGe | data_[Sm4Ge4]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4102]
_cell_length_b [10.9468]
_cell_length_c [4.0164]
_cell_angle_alpha [90.0000]
_cell_... |
mp-570459 | Te | data_[Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6206]
_cell_length_b [4.3129]
_cell_length_c [6.0046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7882]
_cell_angle_... |
mp-999141 | TbAu | data_[Tb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7373]
_cell_length_b [11.0718]
_cell_length_c [4.7002]
_cell_angle_alpha [90.0000]
_cell_... |
mp-28918 | Sb2WO6 | data_[Sb4W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P2_1]
_cell_length_a [5.6235]
_cell_length_b [5.0611]
_cell_length_c [9.3775]
_cell_... |
mp-12410 | Ba2TbIrO6 | data_[Ba8Tb4Ir4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4639]
_cell_length_b [8.4... |
mp-21336 | TaFeP | data_[Ta4Fe4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1226]
_cell_length_b [3.5923]
_cell_length_c [6.9471]
_cell... |
mp-1187616 | YbHoHg2 | data_[Yb4Ho4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4290]
_cell_length_b [7.4290]
_cell_length_c [7.4290]
_c... |
mp-31468 | LiCaN | data_[Li4Ca4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5058]
_cell_length_b [3.6747]
_cell_length_c [5.5526]
_cell... |
mp-1208532 | Tb2Al5Ge2 | data_[Tb8Al20Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.7635]
_cell_length_b [15.4708]
_cell_length_c [8.0384]
_... |
mp-1285546 | Sr2MnMoO6 | data_[Sr4Mn2Mo2O12]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [5.6253]
_cell_length_b [5.62... |
mp-25223 | MnO2 | data_[Mn1O2]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.9311]
_cell_length_b [2.9311]
_cell_length_c [4.6979]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-10749 | SrCuSb | data_[Sr2Cu2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5412]
_cell_length_b [4.5412]
_cell_length_c [8.8789]... |
mp-1186651 | PmSmTl2 | data_[Pm4Sm4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7453]
_cell_length_b [7.7453]
_cell_length_c [7.7453]
_c... |
mp-471 | CdAs2 | data_[Cd4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4_122]
_cell_length_a [8.1566]
_cell_length_b [8.1566]
_cell_length_c [4.7677]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186442 | Pd3Rh | data_[Pd6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9428]
_cell_length_b [3.9428]
_cell_length_c [7.8117]
_cell_angle_alpha [90.0000]
_cell... |
mp-1185247 | Li2CeIn | data_[Li8Ce4In4]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0729]
_cell_length_b [7.0729]
_cell_length_c [7.0729]
_c... |
mp-1069330 | Nd2AlNi2 | data_[Nd4Al2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2300]
_cell_length_b [5.5119]
_cell_length_c [8.6822]
_ce... |
mp-568024 | ICl | data_[I8Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.3442]
_cell_length_b [8.4855]
_cell_length_c [8.9051]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1185947 | MgSc | data_[Mg2Sc2]
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 [Pmma]
_cell_length_a [5.1987]
_cell_length_b [3.3628]
_cell_length_c [5.3489]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1949 | TiMn2 | data_[Ti4Mn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7383]
_cell_length_b [4.7383]
_cell_length_c [7.8080]
_cell_angle_alpha [90.0000]
_ce... |
mp-546790 | LaCuTeO | data_[La2Cu2Te2O2]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1828]
_cell_length_b [4.1... |
mp-975893 | PrMgAu2 | data_[Pr4Mg4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1526]
_cell_length_b [7.1526]
_cell_length_c [7.1526]
_c... |
mp-504573 | Cr2CuO4 | data_[Cr16Cu8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.4512]
_cell_length_b [8.4512]
_cell_length_c [8.4512]
_c... |
mp-1078684 | ErCdGa | data_[Er3Cd3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2336]
_cell_length_b [7.2336]
_cell_length_c [4.3899]
_c... |
mp-12326 | CaZn(GeO3)2 | data_[Ca4Zn4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3180]
_cell_length_b [9.1... |
mp-9514 | Mg(AlC)2 | data_[Mg1Al2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3906]
_cell_length_b [3.3906]
_cell_length_c [5.8237]
_cel... |
mp-753360 | 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 [Pnma]
_cell_length_a [6.5382]
_cell_length_b [3.6441]
_cell_length_c [7.7493]
_cell_a... |
mp-1216430 | V6SiSn | data_[V6Si1Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.8427]
_cell_length_b [4.8427]
_cell_length_c [4.8427]
_cell... |
mp-22280 | PrNiO3 | data_[Pr4Ni4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4668]
_cell_length_b [7.7453]
_cell_length_c [5.4854]
_cel... |
mp-1184389 | EuAgHg2 | data_[Eu4Ag4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3988]
_cell_length_b [7.3988]
_cell_length_c [7.3988]
_c... |
mp-1222828 | LaNb2AgO7 | data_[La2Nb4Ag2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9357]
_cell_length_b [3.9... |
mp-1210097 | NaPr(CO3)2 | data_[Na2Pr2C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.1876]
_cell_length_b [6.43... |
mp-1520951 | Sr2CuBiO6 | data_[Sr8Cu4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1706]
_cell_length_b [8.1... |
mp-4972 | LuInCu2 | data_[Lu4In4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5504]
_cell_length_b [6.5504]
_cell_length_c [6.5504]
_c... |
mp-866073 | MgSnRh2 | data_[Mg4Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [6.3541]
_cell_length_b [6.3541]
_cell_length_c [6.3541]
_c... |
mp-694929 | SrLaTa2(NO)3 | data_[Sr2La2Ta4N6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5... |
mp-1238887 | TiCrCuS4 | data_[Ti4Cr4Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1501]
_cell_length_b [9.94... |
mvc-5022 | TeWO6 | data_[Te2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1790]
_cell_length_b [5.3362]
_cell_length_c [9.0689]
_cel... |
mp-1080443 | YCu | data_[Y4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2077]
_cell_length_b [4.4480]
_cell_length_c [5.4176]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1173962 | Li3Mn2O5 | data_[Li6Mn4O10]
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 [P-1]
_cell_length_a [5.2417]
_cell_length_b [5.9390]
_cell_length_c [6.5068]
_cell... |
mp-756080 | LiMn2Fe3O8 | data_[Li2Mn4Fe6O16]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.0332]
_cell_length_b [6.06... |
mp-1185920 | MgIn2 | data_[Mg4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7410]
_cell_length_b [3.2536]
_cell_length_c [7.6615]
_cell_angle_alpha [90.0000]
_cell_... |
mp-3756 | SmTaO4 | data_[Sm4Ta4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1540]
_cell_length_b [11.2837]
_cell_length_c [5.1482]
_ce... |
mp-1220955 | NaSr2(FeAs)6 | data_[Na2Sr4Fe12As12]
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
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2617]
_cell_length_b [... |
mp-1220569 | Nb4FeS8 | data_[Nb8Fe2S16]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [25.0084]
_cell_length_b [3.3516]
_cell_length_c [5.7603]
_ce... |
mp-1216453 | V6SiGe | data_[V6Si1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.7344]
_cell_length_b [4.7344]
_cell_length_c [4.7344]
_cell... |
mp-777547 | Li2VPHO5 | data_[Li4V2P2H2O10]
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
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3... |
mp-22168 | Mn(InS2)2 | data_[Mn8In16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.8015]
_cell_length_b [10.8015]
_cell_length_c [10.8015]... |
mp-1520744 | KLaEuSbO6 | data_[K2La2Eu2Sb2O12]
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
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [... |
mp-998743 | TlGeCl3 | data_[Tl2Ge2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7435]
_cell_length_b [7.1957]
_cell_length_c [8.3471]
_... |
mp-12569 | PrB4 | data_[Pr4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2702]
_cell_length_b [7.2702]
_cell_length_c [4.1441]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186648 | PmSmZn2 | data_[Pm4Sm4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2949]
_cell_length_b [7.2949]
_cell_length_c [7.2949]
_c... |
mp-2478 | NbSi2 | data_[Nb3Si6]
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
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [4.8177]
_cell_length_b [4.8177]
_cell_length_c [6.6233]
_cell_angle_alpha [90.0000]
_cell... |
mp-559614 | Sr2ZnReO6 | data_[Sr4Zn2Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6720]
_cell_length_b [5.... |
mp-1218476 | SrCa3Ti4O12 | data_[Sr1Ca3Ti4O12]
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
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4688]
_cell_length_b [7.7622... |
mp-642991 | TbH3(CO2)3 | data_[Tb3H9C9O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.4831]
_cell_length_b [10.4831]... |
mp-979115 | Ti2Ag | data_[Ti4Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9312]
_cell_length_b [2.9312]
_cell_length_c [12.1658]
_cell_angle_alpha [90.0000]
_cel... |
mp-8616 | ScAg(PS3)2 | data_[Sc2Ag2P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.2221]
_cell_length_b [6.222... |
mp-1224253 | Ho4FeSn8 | data_[Ho4Fe1Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4449]
_cell_length_b [4.4621]
_cell_length_c [16.6051]
_c... |
mp-753581 | LaUO4 | data_[La1U1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8475]
_cell_length_b [3.8475]
_cell_length_c [5.6329]
_cell... |
mp-2041 | HoZn2 | data_[Ho4Zn8]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.4580]
_cell_length_b [7.0686]
_cell_length_c [7.5915]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1226079 | CoH6(NCl)2 | data_[Co2H12N4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2835]
_cell_length_b [8.5541]
... |
mp-7441 | KP | data_[K8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.1043]
_cell_length_b [6.6168]
_cell_length_c [11.4321]
_cell_angle_alpha [90.0000]
_cel... |
mp-866219 | HfSnRu2 | data_[Hf4Sn4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4502]
_cell_length_b [6.4502]
_cell_length_c [6.4502]
_c... |
mp-28224 | Hg2AsCl2 | data_[Hg16As8Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2995]
_cell_length_b [8.4991]
_cell_length_c [9.2152]
... |
mp-570022 | Ho5Co2Bi | data_[Ho20Co8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.5137]
_cell_length_b [7.5137]
_cell_length_c [14.1868]... |
mp-755184 | Sm2Se2O | data_[Sm8Se8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.4571]
_cell_length_b [4.0230]
_cell_length_c [7.1753]
_cel... |
mp-1025115 | CdIBr | data_[Cd6I6Br6]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2199]
_cell_length_b [4.2199]
_cell_length_c [42.4855]
_cell... |
mp-1220795 | Nb12Sn3Sb | data_[Nb12Sn3Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [5.3217]
_cell_length_b [5.3353]
_cell_length_c [10.6423]
_... |
mp-11368 | Er5Ga3 | data_[Er10Ga6]
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
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5310]
_cell_length_b [8.5310]
_cell_length_c [6.4556]
_cell_angle_alpha [90.0000]
_c... |
mp-1226048 | CoNiTe4 | data_[Co1Ni1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4492]
_cell_length_b [3.8392]
_cell_length_c [6.6627]
_ce... |
mp-1215369 | Zr4Sc(NiSn)5 | data_[Zr12Sc3Ni15Sn15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3802]
_cell_length_b [4... |
mp-754083 | Li2Ni5O7 | data_[Li4Ni10O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3057]
_cell_length_b [4.1077]
_cell_length_c [6.6022]
_ce... |
mp-1102844 | TaNiAs | data_[Ta4Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2905]
_cell_length_b [3.7027]
_cell_length_c [7.3017]
_ce... |
mp-1220174 | NdFeNi4 | data_[Nd1Fe1Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.9953]
_cell_length_b [4.9953]
_cell_length_c [3.9523]
_c... |
mp-1208703 | Sr4Cr3O10 | data_[Sr8Cr6O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8723]
_cell_length_b [3.8723]
_cell_length_c [28.3914]
_... |
mp-1072537 | CeSiNi4 | data_[Ce2Si2Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0447]
_cell_length_b [8.1564]
_cell_length_c [4.0125]
_ce... |
mp-2098 | CeOs2 | data_[Ce8Os16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.6338]
_cell_length_b [7.6338]
_cell_length_c [7.6338]
_cell_angle_alpha [90.0000]
_cell... |
mp-1219314 | Sm2Fe5Co12C | data_[Sm4Fe10Co24C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5594]
_cell_length_b [8.5... |
mp-28072 | La2Be2O5 | data_[La8Be8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Be 1.5700 1.0500 0.5900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5948]
_cell_length_b [7.3827]
_cell_length_c [7.4579]
_cel... |
mp-1225472 | GaHg3AsSCl4 | data_[Ga2Hg6As2S2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_... |
mp-1105844 | Sr3Hg | data_[Sr12Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4408]
_cell_length_b [11.2441]
_cell_length_c [7.5163]
_cell_angle_alpha [90.0000]
_cell... |
mp-1518401 | NaEuYWO6 | data_[Na4Eu4Y4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Y 1.2200 1.8000 1.0400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a ... |
mp-3891 | EuTl2Pd | data_[Eu4Tl8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3517]
_cell_length_b [11.1161]
_cell_length_c [8.5606]
_c... |
mp-1094450 | Mg5Zn | data_[Mg5Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1109]
_cell_length_b [3.1109]
_cell_length_c [15.3605]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216519 | TlHg | data_[Tl3Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4544]
_cell_length_b [3.4544]
_cell_length_c [17.3618]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226103 | Co4B | data_[Co12B3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3712]
_cell_length_b [6.6779]
_cell_length_c [5.0394]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1217759 | SrTaNO2 | data_[Sr1Ta1N1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0555]
_cell_length_b [4.0979]... |
mp-18269 | FeSiO3 | data_[Fe8Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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/c]
_cell_length_a [9.9064]
_cell_length_b [9.2674]
_cell_length_c [5.3920]
_cel... |
mp-7404 | Na3SbO4 | data_[Na6Sb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.8789]
_cell_length_b [6.6773]
_cell_length_c [5.5157]
_cell... |
mp-571232 | YbBr2 | data_[Yb4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [6.6798]
_cell_length_b [8.1320]
_cell_length_c [7.2746]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-9006 | Ho2CF2 | data_[Ho2C1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
C 2.5500 0.7000 0.3000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6420]
_cell_length_b [3.6420]
_cell_length_c [6.4210]
_cell_... |
mp-4291 | Ho(NiGe)2 | data_[Ho2Ni4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0538]
_cell_length_b [4.0538]
_cell_length_c [9.7917]
_... |
mp-6254 | Ba2TbNbO6 | data_[Ba4Tb2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0410]
_cell_length_b [6.04... |
mp-757956 | LiP2WO7 | data_[Li2P4W2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7511]
_cell_length_b [8.5978]
_c... |
mp-865448 | TiGaRu2 | data_[Ti4Ga4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1108]
_cell_length_b [6.1108]
_cell_length_c [6.1108]
_c... |
mp-1079219 | UAlIr | data_[U3Al3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9110]
_cell_length_b [6.9110]
_cell_length_c [4.1152]
_cel... |
mp-1261316 | Ca2AlCrO5 | data_[Ca8Al4Cr4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.2635]
_cell_length_b [5.6... |
mp-1209102 | Sr2GdTaO6 | data_[Sr4Gd2Ta2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Gd 1.2000 1.8000 1.0750
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8568]
_cell_length_b [6.... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.