V2Te6Pd
Alexandria ALEXAlex-ID: agm005692116 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1063_spg12
VTe2 Te2Pd
2023-07-09 21:05:41.386444
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692116).
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
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# CIF generated by HEAS from Alexandria entry agm005692116
data_agm005692116
_cell_length_a 3.67230
_cell_length_b 7.35965
_cell_length_c 10.28537
_cell_angle_alpha 115.39140
_cell_angle_beta 79.71640
_cell_angle_gamma 75.55274
_cell_volume 229.87218
_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 0.82055 0.48553 0.87337 1.00000
V2 V 0.17945 0.51447 0.12663 1.00000
Te1 Te 0.48286 0.19184 0.84245 1.00000
Te2 Te 0.51714 0.80816 0.15755 1.00000
Te3 Te 0.76348 0.28375 0.18928 1.00000
Te4 Te 0.08312 0.27174 0.56202 1.00000
Te5 Te 0.23652 0.71625 0.81072 1.00000
Te6 Te 0.91688 0.72826 0.43798 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
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