Ta5Sb4
Alexandria ALEXAlex-ID: agm005505040 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_12_spg139
Ta5Sb4
2023-03-19 15:00:23.548095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505040).
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
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# CIF generated by HEAS from Alexandria entry agm005505040
data_agm005505040
_cell_length_a 7.54393
_cell_length_b 7.54393
_cell_length_c 7.54393
_cell_angle_alpha 92.92917
_cell_angle_beta 92.92917
_cell_angle_gamma 153.87001
_cell_volume 184.18710
_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
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Ta2 Ta 0.34915 0.95458 0.30372 1.00000
Ta3 Ta 0.65085 0.04542 0.69628 1.00000
Ta4 Ta 0.04542 0.34915 0.39457 1.00000
Ta5 Ta 0.95458 0.65085 0.60543 1.00000
Sb1 Sb 0.36345 0.67674 0.04020 1.00000
Sb2 Sb 0.63655 0.32326 0.95980 1.00000
Sb3 Sb 0.32326 0.36345 0.68671 1.00000
Sb4 Sb 0.67674 0.63655 0.31329 1.00000
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