V2Te3Se
Alexandria ALEXAlex-ID: agm005691936 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_993_spg12
VTe2 VTeSe
2023-08-25 08:46:22.195582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691936).
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 agm005691936
data_agm005691936
_cell_length_a 3.53602
_cell_length_b 7.52050
_cell_length_c 11.88056
_cell_angle_alpha 81.03568
_cell_angle_beta 81.44171
_cell_angle_gamma 76.40294
_cell_volume 301.25178
_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
V1 V 0.25344 0.64459 0.84853 1.00000
V2 V 0.74656 0.35541 0.15147 1.00000
V3 V 0.74580 0.85991 0.64849 1.00000
V4 V 0.25420 0.14009 0.35151 1.00000
Te1 Te 0.10464 0.00686 0.78386 1.00000
Te2 Te 0.89536 0.99314 0.21614 1.00000
Te3 Te 0.36073 0.29990 0.97864 1.00000
Te4 Te 0.63927 0.70010 0.02136 1.00000
Te5 Te 0.63647 0.20836 0.51870 1.00000
Te6 Te 0.36353 0.79164 0.48130 1.00000
Se1 Se 0.87196 0.53114 0.72493 1.00000
Se2 Se 0.12804 0.46886 0.27507 1.00000
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