Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-622508 | GdSi2Rh3 | data_[Gd1Si2Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5527]
_cell_length_b [5.5527]
_cell_length_c [3.6750]
_... |
mp-9665 | K3BAs2 | data_[K12B4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
B 2.0400 0.8500 0.4100
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8167]
_cell_length_b [9.1769]
_cell_length_c [9.1542]
_cell_... |
mp-1216580 | U2Sb4Pd | data_[U2Sb4Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3707]
_cell_length_b [4.3707]
_cell_length_c [9.2783]
_cel... |
mp-973865 | PaAl3 | data_[Pa1Al3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3068]
_cell_length_b [4.3068]
_cell_length_c [4.3068]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22270 | CoP | data_[Co4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.0722]
_cell_length_b [3.2691]
_cell_length_c [5.5551]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-867356 | TcRu3 | data_[Tc2Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4754]
_cell_length_b [5.4754]
_cell_length_c [4.3301]
_cell_angle_alpha [90.0000]
_ce... |
mp-1184737 | Ho2ReC2 | data_[Ho8Re4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5596]
_cell_length_b [5.0991]
_cell_length_c [9.8168]
_cell... |
mp-865971 | Li2CeTl | data_[Li8Ce4Tl4]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0511]
_cell_length_b [7.0511]
_cell_length_c [7.0511]
_c... |
mvc-5676 | TeWO6 | data_[Te4W4O24]
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 [Fm-3m]
_cell_length_a [7.6638]
_cell_length_b [7.6638]
_cell_length_c [7.6638]
_cell... |
mp-1105293 | GaAgO2 | data_[Ga4Ag4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.6605]
_cell_length_b [7.2324]
_cell_length_c [5.5650]
_ce... |
mp-1094660 | MgGa3 | data_[Mg2Ga6]
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 [Imm2]
_cell_length_a [3.2117]
_cell_length_b [9.0380]
_cell_length_c [5.3565]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1208354 | TbGaCo4 | data_[Tb3Ga3Co12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.6004]
_cell_length_b [8.6004]
_cell_length_c [4.0215]
... |
mp-975793 | PrTmTl2 | data_[Pr4Tm4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7008]
_cell_length_b [7.7008]
_cell_length_c [7.7008]
_c... |
mp-27508 | Li6Br3N | data_[Li24Br12N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0446]
_cell_length_b [9.0446]
_cell_length_c [9.0446]
_c... |
mp-7715 | AgF2 | data_[Ag2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.7114]
_cell_length_b [5.1280]
_cell_length_c [5.9801]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1219176 | Sm2AsSe | data_[Sm2As1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1941]
_cell_length_b [4.1941]
_cell_length_c [5.9270]
_... |
mp-15293 | TmTiGe | data_[Tm2Ti2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0263]
_cell_length_b [4.0263]
_cell_length_c [7.5795]
_... |
mp-19867 | NpAs2 | data_[Np2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9662]
_cell_length_b [3.9662]
_cell_length_c [8.0771]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218368 | SrCaPbO4 | data_[Sr2Ca2Pb2O8]
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
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0657]
_cell_length_b [3.487... |
mp-626800 | ReH3O5 | data_[Re2H6O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4588]
_cell_length_b [5.7782]
_cell_length_c [7.5868]
_cell_an... |
mp-1210866 | LiVCdF6 | data_[Li2V2Cd2F12]
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
Cd 1.6900 1.5500 1.0900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.2344]
_cell_length_b [5.234... |
mp-1188688 | PuTcB2 | data_[Pu4Tc4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Tc 1.9000 1.3500 0.7417
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8052]
_cell_length_b [5.3970]
_cell_length_c [6.4018]
_cell... |
mp-1517013 | NaLi(WO3)4 | data_[Na2Li2W8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.7189]
_cell_length_b [7.5902... |
mp-1208246 | Ti5CoSb2 | data_[Ti20Co4Sb8]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.5046]
_cell_length_b [10.5046]
_cell_length_c [5.0447... |
mp-1207238 | Tm2CdPd2 | data_[Tm4Cd2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6680]
_cell_length_b [7.6680]
_cell_length_c [3.6884]
_... |
mp-540783 | OsO4 | data_[Os4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7875]
_cell_length_b [4.7506]
_cell_length_c [8.9589]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-19350 | LaVO3 | data_[La4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6774]
_cell_length_b [7.9417]
_cell_length_c [5.5909]
_cell_... |
mp-571638 | Rb2Cu(BrCl)2 | data_[Rb8Cu4Br8Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.5646]
_cell_length_b [7.... |
mp-977546 | Pm2ZnGa | data_[Pm8Zn4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3484]
_cell_length_b [7.3484]
_cell_length_c [7.3484]
_c... |
mp-27529 | PI3 | data_[P2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [7.4648]
_cell_length_b [7.4648]
_cell_length_c [8.4328]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-569689 | Eu2PI | data_[Eu6P3I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4004]
_cell_length_b [4.4004]
_cell_length_c [23.0425]
_cell_... |
mp-1186585 | Pm2AlIn | data_[Pm8Al4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7025]
_cell_length_b [7.7025]
_cell_length_c [7.7025]
_c... |
mp-16430 | Pr(FeP3)4 | data_[Pr2Fe8P24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.8189]
_cell_length_b [7.8189]
_cell_length_c [7.8189]
_cel... |
mp-1103353 | YGaPt | data_[Y4Ga4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9308]
_cell_length_b [4.4481]
_cell_length_c [7.7036]
_cell... |
mp-1105511 | ErCrTeO6 | data_[Er2Cr2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1896]
_cell_length_b [5.1... |
mp-867268 | K4P2PdS8 | data_[K4P2Pd1S8]
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
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4778]
_cell_length_b [7.0002]
_c... |
mp-1208226 | Th2Al4Si2Au3 | data_[Th4Al8Si4Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3225]
_cell_length_b [23.... |
mp-8769 | Rb2CoSe2 | data_[Rb8Co4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.2280]
_cell_length_b [13.7796]
_cell_length_c [6.5490]
_c... |
mp-754143 | LiVWO6 | data_[Li2V2W2O12]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1301]
_cell_length_b [6.8176]
_... |
mp-1183861 | CeEuCd2 | data_[Ce4Eu4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7592]
_cell_length_b [7.7592]
_cell_length_c [7.7592]
_c... |
mp-1105163 | CuSnPd2 | data_[Cu4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9655]
_cell_length_b [7.9498]
_cell_length_c [8.0519]
_ce... |
mp-8752 | Na4CdP2 | data_[Na12Cd3P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0355]
_cell_length_b [5.0355]
_cell_length_c [25.8055]
_ce... |
mp-676348 | NbAg7S6 | data_[Nb1Ag7S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5521]
_cell_length_b [7.5736]
_cell_length_c [7.6431]
_cell_a... |
mp-983228 | SrEu2Al2O7 | data_[Sr2Eu4Al4O14]
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
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7633]
_cell_length_b [3.... |
mp-1187258 | TaRu3 | data_[Ta2Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6026]
_cell_length_b [5.6026]
_cell_length_c [4.3911]
_cell_angle_alpha [90.0000]
_ce... |
mp-9511 | K2AsAuS4 | data_[K4As2Au2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8085]
_cell_length_b [7.036... |
mp-1029458 | Zn2CrN3 | data_[Zn8Cr4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.5807]
_cell_length_b [5.5754]
_cell_length_c [5.2494]
_c... |
mp-23471 | K2RuCl6 | data_[K8Ru4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ru 2.2000 1.3000 0.6610
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.9022]
_cell_length_b [9.9022]
_cell_length_c [9.9022]
_ce... |
mp-862931 | ErSnRh2 | data_[Er4Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
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 [6.6306]
_cell_length_b [6.6306]
_cell_length_c [6.6306]
_c... |
mp-864784 | LiSnRh2 | data_[Li4Sn4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2143]
_cell_length_b [6.2143]
_cell_length_c [6.2143]
_c... |
mp-1018886 | PdO2 | data_[Pd2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.5974]
_cell_length_b [4.5974]
_cell_length_c [3.2063]
_cell_angle_alpha [90.0000]
_cell... |
mp-554573 | SiO2 | data_[Si8O16]
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 [Ama2]
_cell_length_a [8.3788]
_cell_length_b [8.9189]
_cell_length_c [5.0644]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1218450 | Sr3La(NiO4)2 | data_[Sr6La2Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4801]
_cell_length_b [5.47... |
mp-1077279 | DyNi4Au | data_[Dy4Ni16Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9697]
_cell_length_b [6.9697]
_cell_length_c [6.9697]
_... |
mp-1225345 | Dy4Al3Fe5 | data_[Dy4Al3Fe5]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3771]
_cell_length_b [5.3771]
_cell_length_c [8.4606]
_c... |
mp-980110 | Th(NiSn)2 | data_[Th2Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4494]
_cell_length_b [4.4494]
_cell_length_c [10.1014]
... |
mp-979253 | Sm3Tm | data_[Sm3Tm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0884]
_cell_length_b [5.0884]
_cell_length_c [5.0884]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1227685 | Ca2Zn3Ag | data_[Ca4Zn6Ag2]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5592]
_cell_length_b [4.6672]
_cell_length_c [7.3337]
_cel... |
mp-862673 | LiY2Ru | data_[Li4Y8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9513]
_cell_length_b [6.9513]
_cell_length_c [6.9513]
_cel... |
mp-1522479 | Sr2YBiO6 | data_[Sr8Y4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
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 [8.6117]
_cell_length_b [8.611... |
mp-1541943 | Zn(CuO2)2 | data_[Zn4Cu8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.4749]
_cell_length_b [5.4749]
_cell_length_c [10.8531]... |
mp-754043 | NaLuO2 | data_[Na4Lu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.5337]
_cell_length_b [4.5337]
_cell_length_c [10.1209]
... |
mp-867900 | DyCdRh2 | data_[Dy4Cd4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6535]
_cell_length_b [6.6535]
_cell_length_c [6.6535]
_c... |
mp-568322 | Sr3Li3(NiN)4 | data_[Sr6Li6Ni8N8]
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
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0531]
_cell_length_b [7.059... |
mp-1206728 | TbHg2 | data_[Tb1Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9704]
_cell_length_b [4.9704]
_cell_length_c [3.4675]
_cell_angle_alpha [90.0000]
_cell_... |
mp-28558 | RbGeBr3 | data_[Rb4Ge4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [8.3680]
_cell_length_b [7.7826]
_cell_length_c [11.4055]... |
mp-1077752 | TbCu4Au | data_[Tb4Cu16Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1269]
_cell_length_b [7.1269]
_cell_length_c [7.1269]
_... |
mp-758857 | VOF2 | data_[V4O4F8]
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 [P1]
_cell_length_a [5.2121]
_cell_length_b [5.2615]
_cell_length_c [9.3418]
_cell_angle... |
mp-1272932 | VO2 | data_[V12O24]
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
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.6356]
_cell_length_b [8.3058]
_cell_length_c [9.1498]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-567942 | Cs2ReCl6 | data_[Cs8Re4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Re 1.9000 1.3500 0.7125
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6826]
_cell_length_b [10.6826]
_cell_length_c [10.6826... |
mp-1187125 | Sr2TlIn | data_[Sr8Tl4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2506]
_cell_length_b [8.2506]
_cell_length_c [8.2506]
_c... |
mp-12466 | Fe(PdSe)2 | data_[Fe4Pd8Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.9502]
_cell_length_b [10.7094]
_cell_length_c [5.0994]
_c... |
mp-580731 | Eu(Ni2B)6 | data_[Eu3Ni36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5314]
_cell_length_b [9.5314]
_cell_length_c [7.4333]
_ce... |
mp-21030 | Ti3Sn | data_[Ti6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9122]
_cell_length_b [5.9122]
_cell_length_c [4.7562]
_cell_angle_alpha [90.0000]
_ce... |
mp-1519658 | KCaHfSbO6 | data_[K4Ca4Hf4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-770932 | LiSbO3 | data_[Li4Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3674]
_cell_length_b [9.1622]
_cell_length_c [5.3772]
_cel... |
mp-866201 | Ti3Bi | data_[Ti6Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0029]
_cell_length_b [6.0029]
_cell_length_c [4.8261]
_cell_angle_alpha [90.0000]
_ce... |
mp-865146 | MgAsPt5 | data_[Mg1As1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9876]
_cell_length_b [3.9876]
_cell_length_c [7.1770]
_... |
mp-8615 | NbBO4 | data_[Nb4B4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.3277]
_cell_length_b [6.3277]
_cell_length_c [5.5329]
_c... |
mp-1519625 | BaNaCeBiO6 | data_[Ba4Na4Ce4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-22594 | Ba2LuIrO6 | data_[Ba8Lu4Ir4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Lu 1.2700 1.7500 1.0010
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 [8.3512]
_cell_length_b [8.3... |
mp-752821 | Li3V5O12 | data_[Li3V5O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0354]
_cell_length_b [5.0701]
_cell_length_c [9.1657]
_cell_an... |
mp-886 | Ga2O3 | data_[Ga8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4524]
_cell_length_b [3.0830]
_cell_length_c [5.8762]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1112563 | Cs2TlSbF6 | data_[Cs8Tl4Sb4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8368]
_cell_length_b [9.8... |
mp-1187629 | YbPaIr2 | data_[Yb4Pa4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pa 1.5000 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8378]
_cell_length_b [6.8378]
_cell_length_c [6.8378]
_c... |
mp-1209887 | NbFeSi | data_[Nb4Fe4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2313]
_cell_length_b [3.6828]
_cell_length_c [7.1328]
_ce... |
mp-1103670 | TbGaNi | data_[Tb4Ga4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8602]
_cell_length_b [4.3202]
_cell_length_c [7.3461]
_ce... |
mp-1106121 | Fe9Se8 | data_[Fe9Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [7.1990]
_cell_length_b [7.1990]
_cell_length_c [6.0629]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-773602 | MnCo3O8 | data_[Mn3Co9O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7217]
_cell_length_b [5.7217]
_cell_length_c [14.1271]
_ce... |
mp-998527 | NiBiO3 | data_[Ni6Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4975]
_cell_length_b [5.4975]
_cell_length_c [14.6463]
_cell... |
mp-1222616 | Li2TlHg | data_[Li2Tl1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3436]
_cell_length_b [3.3436]
_cell_length_c [7.1345]
_... |
mp-1226310 | CrFeB2 | data_[Cr2Fe2B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [2.9376]
_cell_length_b [4.1129]
_cell_length_c [5.4913]
_ce... |
mp-865680 | TiSiOs2 | data_[Ti4Si4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0445]
_cell_length_b [6.0445]
_cell_length_c [6.0445]
_c... |
mp-1025025 | ThCoSi | data_[Th4Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.1100]
_cell_length_b [4.1100]
_cell_length_c [13.7459]
... |
mp-22023 | Pb3SO6 | data_[Pb6S2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3636]
_cell_length_b [5.8882]
_cell_length_c [8.3304]
_cel... |
mp-2636 | GdMg | data_[Gd1Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8269]
_cell_length_b [3.8269]
_cell_length_c [3.8269]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1078690 | YbCdGe | data_[Yb3Cd3Ge3]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2957]
_cell_length_b [7.2957]
_cell_length_c [4.4469]
_c... |
mp-1095603 | YAsSe | data_[Y4As4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.6585]
_cell_length_b [3.9127]
_cell_length_c [3.9403]
_cel... |
mp-29646 | HfAs2 | data_[Hf4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8299]
_cell_length_b [3.7094]
_cell_length_c [9.0296]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-973198 | Na | data_[Na9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7565]
_cell_length_b [3.7565]
_cell_length_c [27.0191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
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