Ga3Te3Cl
Alexandria ALEXAlex-ID: agm005218482 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_96_spg62
Ga3Te3Cl
2023-05-11 06:29:10.005183
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005218482).
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 agm005218482
data_agm005218482
_cell_length_a 4.14234
_cell_length_b 11.29647
_cell_length_c 19.75374
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 924.35203
_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 0.75000 0.32573 0.00479 1.00000
Ga2 Ga 0.25000 0.67427 0.99521 1.00000
Ga3 Ga 0.25000 0.17427 0.50479 1.00000
Ga4 Ga 0.75000 0.82573 0.49521 1.00000
Ga5 Ga 0.75000 0.44309 0.89965 1.00000
Ga6 Ga 0.25000 0.55691 0.10035 1.00000
Ga7 Ga 0.25000 0.05691 0.39965 1.00000
Ga8 Ga 0.75000 0.94309 0.60035 1.00000
Ga9 Ga 0.75000 0.33822 0.36387 1.00000
Ga10 Ga 0.25000 0.66178 0.63613 1.00000
Ga11 Ga 0.25000 0.16178 0.86387 1.00000
Ga12 Ga 0.75000 0.83822 0.13613 1.00000
Te1 Te 0.75000 0.27137 0.80427 1.00000
Te2 Te 0.25000 0.72863 0.19573 1.00000
Te3 Te 0.25000 0.22863 0.30427 1.00000
Te4 Te 0.75000 0.77137 0.69573 1.00000
Te5 Te 0.75000 0.32921 0.49902 1.00000
Te6 Te 0.25000 0.67079 0.50098 1.00000
Te7 Te 0.25000 0.17079 0.99902 1.00000
Te8 Te 0.75000 0.82921 0.00098 1.00000
Te9 Te 0.75000 0.41290 0.13104 1.00000
Te10 Te 0.25000 0.58710 0.86896 1.00000
Te11 Te 0.25000 0.08710 0.63104 1.00000
Te12 Te 0.75000 0.91290 0.36896 1.00000
Cl1 Cl 0.75000 0.02606 0.16690 1.00000
Cl2 Cl 0.25000 0.97394 0.83310 1.00000
Cl3 Cl 0.25000 0.47394 0.66690 1.00000
Cl4 Cl 0.75000 0.52606 0.33310 1.00000
