Te3As4
Alexandria ALEXAlex-ID: agm005487997 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_122_spg139
Te3As2 As
2023-03-17 22:59:13.740530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487997).
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 agm005487997
data_agm005487997
_cell_length_a 15.14852
_cell_length_b 15.14852
_cell_length_c 15.14852
_cell_angle_alpha 166.25784
_cell_angle_beta 166.25784
_cell_angle_gamma 19.48151
_cell_volume 196.14910
_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 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.70558 0.70558 0.00000 1.00000
Te3 Te 0.29442 0.29442 0.00000 1.00000
As1 As 0.90406 0.90406 0.00000 1.00000
As2 As 0.09594 0.09594 0.00000 1.00000
As3 As 0.61792 0.61792 0.00000 1.00000
As4 As 0.38208 0.38208 0.00000 1.00000
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