Sb7F29
Alexandria ALEXAlex-ID: agm005287192 · Space group: P2_1/c (#14)
Basic Information
Formula
Sb7F29
Alex-ID
agm005287192
Elements
2
Sites
144
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
2,380.14
ų
Cell a
13.6908
Å
Cell b
8.6446
Å
Cell c
20.3975
Å
α angle
80.38
°
β angle
90.00
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Sb7F29
Sb
28.00 · 19.4%
F
116.00 · 80.6%
Energy & Stability
Energy above hull
0.0002
eV/atom
Formation energy
-2.6683
eV/atom
Corrected total energy
-664.4523
eV
Raw total energy
-664.4523
eV
Electronic Structure
Indirect band gap
3.5841
eV
Direct band gap
3.6924
eV
DOS at Fermi level
0.0000
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A7B29_0_spg14
Decomposition
SbF4 SbF5
Computed at
2023-04-29 04:53:32.935722
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287192).
Reference
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
BibTeX
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005287192
data_agm005287192
_cell_length_a 13.69080
_cell_length_b 8.64464
_cell_length_c 20.39746
_cell_angle_alpha 80.38110
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2380.14288
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sb1 Sb 0.24604 0.98281 0.13074 1.00000
Sb2 Sb 0.74604 0.01719 0.36926 1.00000
Sb3 Sb 0.75396 0.01719 0.86926 1.00000
Sb4 Sb 0.25396 0.98281 0.63074 1.00000
Sb5 Sb 0.23799 0.55280 0.24952 1.00000
Sb6 Sb 0.73799 0.44720 0.25048 1.00000
Sb7 Sb 0.76201 0.44720 0.75048 1.00000
Sb8 Sb 0.26201 0.55280 0.74952 1.00000
Sb9 Sb 0.94114 0.89205 0.13979 1.00000
Sb10 Sb 0.44114 0.10795 0.36021 1.00000
Sb11 Sb 0.05886 0.10795 0.86021 1.00000
Sb12 Sb 0.55886 0.89205 0.63979 1.00000
Sb13 Sb 0.52144 0.87824 0.12801 1.00000
Sb14 Sb 0.02144 0.12176 0.37199 1.00000
Sb15 Sb 0.47856 0.12176 0.87199 1.00000
Sb16 Sb 0.97856 0.87824 0.62801 1.00000
Sb17 Sb 0.46428 0.33978 0.11296 1.00000
Sb18 Sb 0.96428 0.66022 0.38704 1.00000
Sb19 Sb 0.53572 0.66022 0.88704 1.00000
Sb20 Sb 0.03572 0.33978 0.61296 1.00000
Sb21 Sb 0.03066 0.34847 0.11031 1.00000
Sb22 Sb 0.53066 0.65153 0.38969 1.00000
Sb23 Sb 0.96934 0.65153 0.88969 1.00000
Sb24 Sb 0.46934 0.34847 0.61031 1.00000
Sb25 Sb 0.25053 0.56169 0.99303 1.00000
Sb26 Sb 0.75053 0.43831 0.50697 1.00000
Sb27 Sb 0.74947 0.43831 0.00697 1.00000
Sb28 Sb 0.24947 0.56169 0.49303 1.00000
F1 F 0.22331 0.99538 0.22100 1.00000
F2 F 0.72331 0.00462 0.27900 1.00000
F3 F 0.77669 0.00462 0.77900 1.00000
F4 F 0.27669 0.99538 0.72100 1.00000
F5 F 0.24210 0.71712 0.16702 1.00000
F6 F 0.74210 0.28288 0.33298 1.00000
F7 F 0.75790 0.28288 0.83298 1.00000
F8 F 0.25790 0.71712 0.66702 1.00000
F9 F 0.08407 0.90050 0.12247 1.00000
F10 F 0.58407 0.09950 0.37753 1.00000
F11 F 0.91593 0.09950 0.87753 1.00000
F12 F 0.41593 0.90050 0.62247 1.00000
F13 F 0.39713 0.90230 0.17598 1.00000
F14 F 0.89713 0.09770 0.32402 1.00000
F15 F 0.60287 0.09770 0.82402 1.00000
F16 F 0.10287 0.90230 0.67598 1.00000
F17 F 0.34529 0.19857 0.12390 1.00000
F18 F 0.84529 0.80143 0.37610 1.00000
F19 F 0.65471 0.80143 0.87610 1.00000
F20 F 0.15471 0.19857 0.62390 1.00000
F21 F 0.14795 0.20484 0.11829 1.00000
F22 F 0.64795 0.79516 0.38171 1.00000
F23 F 0.85205 0.79516 0.88171 1.00000
F24 F 0.35205 0.20484 0.61829 1.00000
F25 F 0.95813 0.12454 0.14302 1.00000
F26 F 0.45813 0.87546 0.35698 1.00000
F27 F 0.04187 0.87546 0.85698 1.00000
F28 F 0.54187 0.12454 0.64302 1.00000
F29 F 0.53754 0.11131 0.12778 1.00000
F30 F 0.03754 0.88869 0.37222 1.00000
F31 F 0.46246 0.88869 0.87222 1.00000
F32 F 0.96246 0.11131 0.62778 1.00000
F33 F 0.34566 0.52049 0.06657 1.00000
F34 F 0.84566 0.47951 0.43343 1.00000
F35 F 0.65434 0.47951 0.93343 1.00000
F36 F 0.15434 0.52049 0.56657 1.00000
F37 F 0.14793 0.52678 0.06219 1.00000
F38 F 0.64793 0.47322 0.43781 1.00000
F39 F 0.85207 0.47322 0.93781 1.00000
F40 F 0.35207 0.52678 0.56219 1.00000
F41 F 0.34146 0.66223 0.28401 1.00000
F42 F 0.84146 0.33777 0.21599 1.00000
F43 F 0.65854 0.33777 0.71599 1.00000
F44 F 0.15854 0.66223 0.78401 1.00000
F45 F 0.33328 0.43813 0.20763 1.00000
F46 F 0.83328 0.56187 0.29237 1.00000
F47 F 0.66672 0.56187 0.79237 1.00000
F48 F 0.16672 0.43813 0.70763 1.00000
F49 F 0.13725 0.45652 0.20361 1.00000
F50 F 0.63725 0.54348 0.29639 1.00000
F51 F 0.86275 0.54348 0.79639 1.00000
F52 F 0.36275 0.45652 0.70361 1.00000
F53 F 0.13994 0.67622 0.28253 1.00000
F54 F 0.63994 0.32378 0.21747 1.00000
F55 F 0.86006 0.32378 0.71747 1.00000
F56 F 0.36006 0.67622 0.78253 1.00000
F57 F 0.22951 0.39644 0.32597 1.00000
F58 F 0.72951 0.60356 0.17403 1.00000
F59 F 0.77049 0.60356 0.67403 1.00000
F60 F 0.27049 0.39644 0.82597 1.00000
F61 F 0.94472 0.67352 0.13617 1.00000
F62 F 0.44472 0.32648 0.36383 1.00000
F63 F 0.05528 0.32648 0.86383 1.00000
F64 F 0.55528 0.67352 0.63617 1.00000
F65 F 0.97189 0.85752 0.23199 1.00000
F66 F 0.47189 0.14248 0.26801 1.00000
F67 F 0.02811 0.14248 0.76801 1.00000
F68 F 0.52811 0.85752 0.73199 1.00000
F69 F 0.80785 0.91483 0.15805 1.00000
F70 F 0.30785 0.08517 0.34195 1.00000
F71 F 0.19215 0.08517 0.84195 1.00000
F72 F 0.69215 0.91483 0.65805 1.00000
F73 F 0.92201 0.95188 0.04737 1.00000
F74 F 0.42201 0.04812 0.45263 1.00000
F75 F 0.07799 0.04812 0.95263 1.00000
F76 F 0.57799 0.95188 0.54737 1.00000
F77 F 0.49885 0.65845 0.13305 1.00000
F78 F 0.99885 0.34155 0.36695 1.00000
F79 F 0.50115 0.34155 0.86695 1.00000
F80 F 0.00115 0.65845 0.63305 1.00000
F81 F 0.58127 0.84738 0.21234 1.00000
F82 F 0.08127 0.15262 0.28766 1.00000
F83 F 0.41873 0.15262 0.78766 1.00000
F84 F 0.91873 0.84738 0.71234 1.00000
F85 F 0.63570 0.88587 0.07671 1.00000
F86 F 0.13570 0.11413 0.42329 1.00000
F87 F 0.36430 0.11413 0.92329 1.00000
F88 F 0.86430 0.88587 0.57671 1.00000
F89 F 0.43713 0.93015 0.05321 1.00000
F90 F 0.93713 0.06985 0.44679 1.00000
F91 F 0.56287 0.06985 0.94679 1.00000
F92 F 0.06287 0.93015 0.55321 1.00000
F93 F 0.46872 0.32090 0.02084 1.00000
F94 F 0.96872 0.67910 0.47916 1.00000
F95 F 0.53128 0.67910 0.97916 1.00000
F96 F 0.03128 0.32090 0.52084 1.00000
F97 F 0.02021 0.31720 0.01979 1.00000
F98 F 0.52021 0.68280 0.48021 1.00000
F99 F 0.97979 0.68280 0.98021 1.00000
F100 F 0.47979 0.31720 0.51979 1.00000
F101 F 0.15298 0.60279 0.92491 1.00000
F102 F 0.65298 0.39721 0.57509 1.00000
F103 F 0.84702 0.39721 0.07509 1.00000
F104 F 0.34702 0.60279 0.42491 1.00000
F105 F 0.25103 0.77399 0.00531 1.00000
F106 F 0.75103 0.22601 0.49469 1.00000
F107 F 0.74897 0.22601 0.99469 1.00000
F108 F 0.24897 0.77399 0.50531 1.00000
F109 F 0.24807 0.34494 0.99013 1.00000
F110 F 0.74807 0.65506 0.50987 1.00000
F111 F 0.75193 0.65506 0.00987 1.00000
F112 F 0.25193 0.34494 0.49013 1.00000
F113 F 0.35373 0.59807 0.92868 1.00000
F114 F 0.85373 0.40193 0.57132 1.00000
F115 F 0.64627 0.40193 0.07132 1.00000
F116 F 0.14627 0.59807 0.42868 1.00000
