Cs4TaTe4
Alexandria ALEXAlex-ID: agm003596643 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_11_spg87
Cs3TaTe4 Cs2Te Ta
2022-04-06 01:33:02.574929
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003596643).
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 agm003596643
data_agm003596643
_cell_length_a 7.65903
_cell_length_b 8.70941
_cell_length_c 8.70941
_cell_angle_alpha 78.85256
_cell_angle_beta 63.91538
_cell_angle_gamma 63.91538
_cell_volume 468.64615
_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 0.79178 0.62902 0.78742 1.00000
Cs2 Cs 0.20822 0.37098 0.21258 1.00000
Cs3 Cs 0.57920 0.21258 0.62902 1.00000
Cs4 Cs 0.42080 0.78742 0.37098 1.00000
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.76356 0.31457 0.15831 1.00000
Te2 Te 0.23644 0.68543 0.84169 1.00000
Te3 Te 0.92187 0.84169 0.31457 1.00000
Te4 Te 0.07813 0.15831 0.68543 1.00000
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