CsTa5Te8
Alexandria ALEXAlex-ID: agm006116085 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_116_spg12
Ta2Te Ta2Te3 Cs3TaTe4
2023-08-11 09:10:47.158966
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116085).
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 agm006116085
data_agm006116085
_cell_length_a 3.75334
_cell_length_b 9.94343
_cell_length_c 10.87948
_cell_angle_alpha 105.65397
_cell_angle_beta 99.93298
_cell_angle_gamma 90.00002
_cell_volume 384.64921
_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
Cs1 Cs 0.49037 0.48591 0.98075 1.00000
Ta1 Ta 0.29321 0.66325 0.58643 1.00000
Ta2 Ta 0.71457 0.36520 0.42914 1.00000
Ta3 Ta 0.33896 0.96214 0.67792 1.00000
Ta4 Ta 0.63589 0.00387 0.27177 1.00000
Ta5 Ta 0.02570 0.00806 0.05139 1.00000
Te1 Te 0.23764 0.16057 0.47527 1.00000
Te2 Te 0.74284 0.84245 0.48568 1.00000
Te3 Te 0.16387 0.51579 0.32774 1.00000
Te4 Te 0.84306 0.50621 0.68612 1.00000
Te5 Te 0.08600 0.79680 0.17199 1.00000
Te6 Te 0.91637 0.14489 0.83275 1.00000
Te7 Te 0.43525 0.82839 0.87051 1.00000
Te8 Te 0.57627 0.21648 0.15254 1.00000
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