Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-27844 | NiP | data_[Ni8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [4.8765]
_cell_length_b [6.9163]
_cell_length_c [6.0261]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-753435 | Mn2F7 | data_[Mn8F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.2254]
_cell_length_b [9.9544]
_cell_length_c [9.9867]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-606121 | Ce2Bi5Rh3 | data_[Ce8Bi20Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6649]
_cell_length_b [27.3848]
_cell_length_c [7.5772... |
mp-1217442 | TbYNi2 | data_[Tb2Y2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2138]
_cell_length_b [5.4013]
_cell_length_c [7.1370]
_ce... |
mp-9379 | Sr(SnAs)2 | data_[Sr3Sn6As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2805]
_cell_length_b [4.2805]
_cell_length_c [27.1750]
_c... |
mp-755882 | MnAl2O4 | data_[Mn8Al16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.3061]
_cell_length_b [8.3061]
_cell_length_c [8.3061]
_c... |
mp-1079630 | Ba2TaInO6 | data_[Ba8Ta4In4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ta 1.5000 1.4500 0.8200
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3999]
_cell_length_b [8.3... |
mp-1095536 | VNiGe | data_[V4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9937]
_cell_length_b [3.7131]
_cell_length_c [7.0256]
_cell... |
mp-1027175 | Te2Mo3W(SeS2)2 | data_[Te2Mo3W1Se2S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a ... |
mp-1079716 | YInCo2 | data_[Y2In2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.9891]
_cell_length_b [4.0030]
_cell_length_c [7.1213]
_cell... |
mp-861651 | Li2PdPb | data_[Li8Pd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4422]
_cell_length_b [6.4422]
_cell_length_c [6.4422]
_c... |
mp-755883 | NaDyO2 | data_[Na4Dy4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Dy 1.2200 1.7500 1.1310
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.6292]
_cell_length_b [4.6292]
_cell_length_c [10.3794]
... |
mp-1518060 | SrEuGdSbO6 | data_[Sr4Eu4Gd4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
Gd 1.2000 1.8000 1.0750
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1222568 | Li3Ag3Sn2 | data_[Li9Ag9Sn6]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7127]
_cell_length_b [4.7127]
_cell_length_c [22.9623]
_ce... |
mp-1183594 | CaYb3 | data_[Ca4Yb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5697]
_cell_length_b [8.5697]
_cell_length_c [8.5697]
_cell_angle_alpha [90.0000]
_cell... |
mp-505031 | Cs4Cu3F10 | data_[Cs8Cu6F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2517]
_cell_length_b [6.2945]
_cell_length_c [8.1010]
_ce... |
mp-1173029 | LiPrS2 | data_[Li4Pr4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.6932]
_cell_length_b [5.6932]
_cell_length_c [11.3633]
... |
mp-829 | AlPd | data_[Al1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0776]
_cell_length_b [3.0776]
_cell_length_c [3.0776]
_cell_angle_alpha [90.0000]
_cell_... |
mp-779704 | Si(HgO2)2 | data_[Si8Hg16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.6045]
_cell_length_b [11.2248]
_cell_length_c [11.3716]
_... |
mp-1186201 | NaYbPb2 | data_[Na4Yb4Pb8]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7298]
_cell_length_b [7.7298]
_cell_length_c [7.7298]
_c... |
mp-23789 | Mn(HO)2 | data_[Mn1H2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3701]
_cell_length_b [3.3701]
_cell_length_c [4.8207]
_cell_... |
mp-1018707 | GdSe2 | data_[Gd2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0909]
_cell_length_b [4.0909]
_cell_length_c [8.4252]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206480 | Er2NiAs2 | data_[Er4Ni2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.1029]
_cell_length_b [4.1029]
_cell_length_c [14.0313]
... |
mp-672235 | Co(NiS2)2 | data_[Co8Ni16S32]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.3870]
_cell_length_b [9.3870]
_cell_length_c [9.3870]
_c... |
mp-11110 | YbAl3(BO3)4 | data_[Yb3Al9B12O36]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.3331]
_cell_length_b [9.3331... |
mp-1094950 | MgGa3 | data_[Mg1Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2707]
_cell_length_b [4.5860]
_cell_length_c [5.1474]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1742 | GdRh | data_[Gd1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4756]
_cell_length_b [3.4756]
_cell_length_c [3.4756]
_cell_angle_alpha [90.0000]
_cell_... |
mp-3623 | MnAlCo2 | data_[Mn4Al4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7008]
_cell_length_b [5.7008]
_cell_length_c [5.7008]
_c... |
mp-1219799 | Ni6SnSb | data_[Ni6Sn1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2526]
_cell_length_b [5.3031]
_cell_length_c [4.5488]
_ce... |
mp-1102731 | YbCd2 | data_[Yb4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9440]
_cell_length_b [5.9440]
_cell_length_c [9.9851]
_cell_angle_alpha [90.0000]
_ce... |
mp-755924 | Y2CuO4 | data_[Y8Cu4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [11.9141]
_cell_length_b [5.5130]
_cell_length_c [5.5100]
_cell... |
mp-1215367 | Zr5(Te2P)2 | data_[Zr15Te12P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8272]
_cell_length_b [3.8272]
_cell_length_c [63.1346]
_c... |
mp-570238 | P10Au7I | data_[P10Au7I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.2790]
_cell_length_b [6.2790]
_cell_length_c [11.2672]
_cel... |
mp-1185400 | LiPr2Rh | data_[Li4Pr8Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2844]
_cell_length_b [7.2844]
_cell_length_c [7.2844]
_c... |
mp-29862 | SnBr2 | data_[Sn4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2333]
_cell_length_b [4.3122]
_cell_length_c [10.8204]
_cell_angle_alpha [90.0000]
_cell_... |
mp-12628 | Rb | data_[Rb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1372]
_cell_length_b [7.1372]
_cell_length_c [7.1372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1114623 | Rb3GdCl6 | data_[Rb12Gd4Cl24]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5700]
_cell_length_b [11.5700]
_cell_length_c [11.570... |
mp-1027424 | Te2Mo3W(SeS2)2 | data_[Te2Mo3W1Se2S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a ... |
mp-641621 | U4Ga12Co | data_[U8Ga24Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5583]
_cell_length_b [8.5583]
_cell_length_c [8.5583]
_ce... |
mp-998153 | TlGeBr3 | data_[Tl2Ge2Br6]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9119]
_cell_length_b [7.8152]
_cell_length_c [5.5513]
_cell... |
mp-1221503 | MnZnSe2 | data_[Mn1Zn1Se2]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1247]
_cell_length_b [4.1247]
_cell_length_c [6.7370]
_ce... |
mp-1101899 | Na2CO3 | data_[Na8C4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1771]
_cell_length_b [5.2854]
_cell_length_c [6.2852]
_cell_... |
mp-1188354 | Ta3VSe6 | data_[Ta6V2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [6.0107]
_cell_length_b [6.0107]
_cell_length_c [12.7981]
_... |
mp-1227995 | BaIn3Pt | data_[Ba2In6Pt2]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.8959]
_cell_length_b [4.8959]
_cell_length_c [11.5860]
_c... |
mp-10142 | Ta3B4 | data_[Ta6B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1460]
_cell_length_b [3.3102]
_cell_length_c [14.0700]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-567749 | Y(SiOs)2 | data_[Y2Si4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1925]
_cell_length_b [4.1925]
_cell_length_c [9.6509]
_ce... |
mp-1102138 | TiCoP | data_[Ti4Co4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0380]
_cell_length_b [3.5482]
_cell_length_c [6.8422]
_cell... |
mp-1219115 | SmAlCu4 | data_[Sm1Al1Cu4]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.2731]
_cell_length_b [5.2731]
_cell_length_c [3.9959]
_c... |
mp-570912 | YbInAu | data_[Yb3In3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9445]
_cell_length_b [7.9445]
_cell_length_c [3.9127]
_c... |
mp-514 | HfZn2 | data_[Hf8Zn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3558]
_cell_length_b [7.3558]
_cell_length_c [7.3558]
_cell_angle_alpha [90.0000]
_cell... |
mp-11601 | NaErO2 | data_[Na3Er3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3886]
_cell_length_b [3.3886]
_cell_length_c [16.7138]
_cel... |
mp-555223 | Cs2MnF5 | data_[Cs2Mn1F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.5126]
_cell_length_b [6.5126]
_cell_length_c [4.3065]
_ce... |
mp-7909 | Al2CdTe4 | data_[Al4Cd2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.2904]
_cell_length_b [6.2904]
_cell_length_c [11.9565]
_ce... |
mp-865006 | Dy2MgAl | data_[Dy8Mg4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3536]
_cell_length_b [7.3536]
_cell_length_c [7.3536]
_c... |
mp-1184031 | Ga3Sn | data_[Ga6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6485]
_cell_length_b [4.6485]
_cell_length_c [8.0734]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105556 | La(As3Os)4 | data_[La2As24Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.6558]
_cell_length_b [8.6558]
_cell_length_c [8.6558]
_c... |
mp-29579 | Sc7NCl12 | data_[Sc21N3Cl36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1377]
_cell_length_b [13.1377]
_cell_length_c [8.8417]
_c... |
mp-8251 | VP4 | data_[V4P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.2648]
_cell_length_b [10.9999]
_cell_length_c [5.8491]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1213852 | Ce2Si5Pd3 | data_[Ce8Si20Pd12]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.9668]
_cell_length_b [11.8510]
_cell_length_c [6.0330]
... |
mp-1069561 | Dy2BiO2 | data_[Dy4Bi2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8874]
_cell_length_b [3.8874]
_cell_length_c [13.5765]
_c... |
mp-1187590 | TmMgPd2 | data_[Tm4Mg4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6960]
_cell_length_b [6.6960]
_cell_length_c [6.6960]
_c... |
mp-1102476 | TbAsSe | data_[Tb4As4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.6334]
_cell_length_b [3.9224]
_cell_length_c [3.9474]
_c... |
mp-1216991 | TiCoCuS4 | data_[Ti4Co4Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.8102]
_cell_length_b [7.01... |
mp-1219729 | PrSmB12 | data_[Pr1Sm1B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8437]
_cell_length_b [5.8437]
_cell_length_c [4.1329]
_c... |
mp-1837 | TbCu | data_[Tb1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4812]
_cell_length_b [3.4812]
_cell_length_c [3.4812]
_cell_angle_alpha [90.0000]
_cell_... |
mp-759968 | Na2BiO3 | data_[Na8Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0632]
_cell_length_b [10.0749]
_cell_length_c [5.8810]
_ce... |
mp-1025239 | Cr2CoTe4 | data_[Cr4Co2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3063]
_cell_length_b [4.0113]
_cell_length_c [6.8840]
_c... |
mp-1184789 | InHg3 | data_[In2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7894]
_cell_length_b [6.7894]
_cell_length_c [5.4705]
_cell_angle_alpha [90.0000]
_ce... |
mp-1078280 | Ca2GaPd2 | data_[Ca8Ga4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9372]
_cell_length_b [5.7494]
_cell_length_c [7.8796]
_ce... |
mp-31208 | LiIn2Ir | data_[Li4In8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5456]
_cell_length_b [6.5456]
_cell_length_c [6.5456]
_c... |
mp-1228829 | AlV6Ge | data_[Al1V6Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.7917]
_cell_length_b [4.7917]
_cell_length_c [4.7917]
_cell... |
mp-1217316 | Ti(FeO2)3 | data_[Ti3Fe9O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1691]
_cell_length_b [5.1691]
_cell_length_c [13.9084]
_cell... |
mp-32 | Ge | data_[Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [5.7629]
_cell_length_b [5.7629]
_cell_length_c [5.7629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-983425 | Li2PmGe | data_[Li8Pm4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5891]
_cell_length_b [6.5891]
_cell_length_c [6.5891]
_c... |
mp-27255 | Ga2TeS2 | data_[Ga8Te4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [7.2183]
_cell_length_b [7.2183]
_cell_length_c [10.3381]
_c... |
mp-21894 | LiSn4Ir | data_[Li4Sn16Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.6821]
_cell_length_b [6.6821]
_cell_length_c [11.5200]... |
mp-776922 | Rb2O | data_[Rb6O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.3928]
_cell_length_b [7.3928]
_cell_length_c [6.6122]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1104217 | Tb(VFe2)4 | data_[Tb2V8Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.4944]
_cell_length_b [8.4944]
_cell_length_c [4.7123]
_c... |
mp-1227448 | Ca(B2Pt3)2 | data_[Ca1B4Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1214]
_cell_length_b [6.1214]
_cell_length_c [5.3551]
_cel... |
mp-10463 | YCo4B | data_[Y2Co8B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0191]
_cell_length_b [5.0191]
_cell_length_c [6.8238]
_cell... |
mp-1113701 | Rb2YAgI6 | data_[Rb8Y4Ag4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1364]
_cell_length_b [12.1... |
mp-1219326 | Si3B3W10 | data_[Si12B12W40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.6711]
_cell_length_b [11.1460]
_cell_length_c [8.8367]
_ce... |
mp-1184135 | DyTmHg2 | data_[Dy4Tm4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4063]
_cell_length_b [7.4063]
_cell_length_c [7.4063]
_c... |
mp-1318051 | CaYMn2O6 | data_[Ca2Y2Mn4O12]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.2380]
_cell_length_b [5.4246]
... |
mp-992141 | Cs2IBrCl6 | data_[Cs8I4Br4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3718]
_cell_length_b [11... |
mp-1182265 | Ce2Ga2Fe15 | data_[Ce6Ga6Fe45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4654]
_cell_length_b [8.4654]
_cell_length_c [12.6927]
_... |
mp-17977 | Fe12As5 | data_[Fe36As15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.7540]
_cell_length_b [6.7540]
_cell_length_c [16.1869]
_cell_angle_alpha [90.0000]
_cell... |
mp-1221977 | Mn4Te3Se | data_[Mn4Te3Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1317]
_cell_length_b [4.1317]
_cell_length_c [11.9018]
_... |
mp-568555 | SmSi2Rh3 | data_[Sm1Si2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5691]
_cell_length_b [5.5691]
_cell_length_c [3.6866]
_... |
mp-11974 | TmSnRh | data_[Tm3Sn3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5894]
_cell_length_b [7.5894]
_cell_length_c [3.7452]
_c... |
mp-643708 | LiH2IO | data_[Li2H8I4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6733]
_cell_length_b [4.3900]
_ce... |
mp-1205899 | Zr6NiBi2 | data_[Zr6Ni1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9352]
_cell_length_b [7.9352]
_cell_length_c [3.7169]
_c... |
mp-1077980 | Sr(Ag2Sb)2 | data_[Sr3Ag12Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8220]
_cell_length_b [4.8220]
_cell_length_c [25.5050]
_... |
mp-1225335 | DyAlNi4 | data_[Dy1Al1Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.0298]
_cell_length_b [5.0298]
_cell_length_c [3.8576]
_c... |
mp-1188220 | SiO2 | data_[Si12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.9916]
_cell_length_b [8.9916]
_cell_length_c [8.9916]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105440 | TlIn(PS3)2 | data_[Tl2In2P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.7052]
_cell_length_b [9.3010... |
mp-1094397 | Y3Mg | data_[Y6Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0376]
_cell_length_b [7.0376]
_cell_length_c [5.6209]
_cell_angle_alpha [90.0000]
_cell... |
mp-22588 | LuFeO3 | data_[Lu4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5814]
_cell_length_b [7.6658]
_cell_length_c [5.2410]
_cel... |
mp-8300 | Ba4As2O | data_[Ba8As4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2275]
_cell_length_b [5.2275]
_cell_length_c [17.4438]
_c... |
mp-1104008 | NdGa6 | data_[Nd2Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.0830]
_cell_length_b [6.0830]
_cell_length_c [7.6655]
_cell_angle_alpha [90.0000]
_cel... |
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