GaTeBr
Alexandria ALEXAlex-ID: agm074309293 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_14657_spg169
GaTeBr
2025-01-01 14:36:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074309293).
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 agm074309293
data_agm074309293
_cell_length_a 4.15099
_cell_length_b 14.51908
_cell_length_c 14.51165
_cell_angle_alpha 119.69484
_cell_angle_beta 92.20051
_cell_angle_gamma 89.80456
_cell_volume 759.05701
_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
Ga1 Ga 0.73131 0.40315 0.40402 1.00000
Ga2 Ga 0.38627 0.00340 0.59612 1.00000
Ga3 Ga 0.05794 0.59383 0.00025 1.00000
Ga4 Ga 0.25468 0.59313 0.59106 1.00000
Ga5 Ga 0.86033 0.00103 0.40559 1.00000
Ga6 Ga 0.55941 0.40553 0.00224 1.00000
Te1 Te 0.87424 0.87440 0.49398 1.00000
Te2 Te 0.57499 0.61910 0.12933 1.00000
Te3 Te 0.22634 0.50571 0.37677 1.00000
Te4 Te 0.37264 0.13003 0.50773 1.00000
Te5 Te 0.04246 0.38009 0.87313 1.00000
Te6 Te 0.75961 0.49045 0.61812 1.00000
Br1 Br 0.72554 0.21966 0.30514 1.00000
Br2 Br 0.41803 0.08694 0.77985 1.00000
Br3 Br 0.05340 0.69546 0.91767 1.00000
Br4 Br 0.27347 0.77647 0.69139 1.00000
Br5 Br 0.84543 0.91694 0.22186 1.00000
Br6 Br 0.57840 0.30469 0.08574 1.00000
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