TaSb2
Alexandria ALEXAlex-ID: agm003201409 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_83_spg12
TaSb2
2021-12-03 04:46:47.694376
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201409).
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 agm003201409
data_agm003201409
_cell_length_a 5.49048
_cell_length_b 5.49048
_cell_length_c 8.37940
_cell_angle_alpha 61.45245
_cell_angle_beta 61.45245
_cell_angle_gamma 39.35336
_cell_volume 138.01224
_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 0.40516 0.40516 0.38731 1.00000
Sb2 Sb 0.59484 0.59484 0.61269 1.00000
Sb3 Sb 0.85157 0.85157 0.03490 1.00000
Sb4 Sb 0.14843 0.14843 0.96510 1.00000
Ta1 Ta 0.15053 0.15053 0.31180 1.00000
Ta2 Ta 0.84947 0.84947 0.68820 1.00000
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