Sb5C4
Alexandria ALEXAlex-ID: agm005504438 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_49_spg139
C Sb
2023-03-19 12:12:53.291526
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504438).
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
@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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005504438
data_agm005504438
_cell_length_a 6.41957
_cell_length_b 6.41957
_cell_length_c 6.41957
_cell_angle_alpha 104.22426
_cell_angle_beta 104.22426
_cell_angle_gamma 120.56825
_cell_volume 197.83329
_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 0.00000 0.00000 0.00000 1.00000
Sb2 Sb 0.25615 0.74385 0.00000 1.00000
Sb3 Sb 0.74385 0.25615 0.00000 1.00000
Sb4 Sb 0.25615 0.25615 0.51230 1.00000
Sb5 Sb 0.74385 0.74385 0.48770 1.00000
C1 C 0.00000 0.58150 0.58150 1.00000
C2 C 0.00000 0.41850 0.41850 1.00000
C3 C 0.41850 0.00000 0.41850 1.00000
C4 C 0.58150 0.00000 0.58150 1.00000
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