Cs4TeAu2
Alexandria ALEXAlex-ID: agm005994603 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_39_spg122
Cs2Te CsAu
2023-10-16 10:53:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994603).
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 agm005994603
data_agm005994603
_cell_length_a 9.67558
_cell_length_b 9.67224
_cell_length_c 9.67355
_cell_angle_alpha 109.39386
_cell_angle_beta 109.40777
_cell_angle_gamma 109.61555
_cell_volume 696.86387
_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 0.11877 0.72423 0.74705 1.00000
Cs2 Cs 0.77204 0.52562 0.89412 1.00000
Cs3 Cs 0.97764 0.37187 0.25295 1.00000
Cs4 Cs 0.62793 0.88143 0.60586 1.00000
Cs5 Cs 0.27554 0.02240 0.39411 1.00000
Cs6 Cs 0.63148 0.87828 0.10590 1.00000
Cs7 Cs 0.12174 0.22720 0.75303 1.00000
Cs8 Cs 0.47463 0.36885 0.24697 1.00000
Te1 Te 0.75006 0.25005 0.50011 1.00000
Te2 Te 0.99994 0.99993 0.99989 1.00000
Au1 Au 0.25783 0.62502 0.13249 1.00000
Au2 Au 0.49241 0.12517 0.86759 1.00000
Au3 Au 0.87528 0.74246 0.36753 1.00000
Au4 Au 0.37471 0.50750 0.63239 1.00000
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