ZrGaSb
Alexandria ALEXAlex-ID: agm005666576 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_285_spg43
ZrGa2 Zr2GaSb3
2023-06-17 10:37:34.749144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666576).
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 agm005666576
data_agm005666576
_cell_length_a 5.42877
_cell_length_b 5.42877
_cell_length_c 5.57721
_cell_angle_alpha 104.52083
_cell_angle_beta 104.52082
_cell_angle_gamma 119.00099
_cell_volume 124.99095
_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
Zr1 Zr 0.44398 0.55602 0.50000 1.00000
Zr2 Zr 0.69398 0.30602 1.00000 1.00000
Ga1 Ga 0.11731 0.88269 0.50000 1.00000
Ga2 Ga 0.36731 0.63269 0.00000 1.00000
Sb1 Sb 0.03217 0.96783 1.00000 1.00000
Sb2 Sb 0.78217 0.21783 0.50000 1.00000
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