TeAsBr
Alexandria ALEXAlex-ID: agm005607428 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9126_spg12
TeAsBr
2023-06-19 08:00:04.270442
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607428).
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 agm005607428
data_agm005607428
_cell_length_a 3.98711
_cell_length_b 8.48115
_cell_length_c 7.80364
_cell_angle_alpha 50.27170
_cell_angle_beta 75.19356
_cell_angle_gamma 76.40435
_cell_volume 195.29357
_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
Te1 Te 0.63354 0.67090 0.06210 1.00000
Te2 Te 0.36646 0.32910 0.93790 1.00000
As1 As 0.75227 0.26223 0.23316 1.00000
As2 As 0.24773 0.73777 0.76684 1.00000
Br1 Br 0.12593 0.18172 0.56640 1.00000
Br2 Br 0.87407 0.81828 0.43360 1.00000
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