Cs4Ta3Se10
Alexandria ALEXAlex-ID: agm008317289 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C10_3_spg139
CsTaSe3 Cs3TaSe4 Cs4Ta2Se11
2024-05-15 14:21:06.553171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008317289).
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 agm008317289
data_agm008317289
_cell_length_a 5.35219
_cell_length_b 5.35219
_cell_length_c 19.46002
_cell_angle_alpha 81.33788
_cell_angle_beta 81.33788
_cell_angle_gamma 89.58690
_cell_volume 544.73783
_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 0.56824 0.56912 0.86758 1.00000
Cs2 Cs 0.43088 0.43176 0.13242 1.00000
Cs3 Cs 0.29609 0.30302 0.40230 1.00000
Cs4 Cs 0.69698 0.70391 0.59770 1.00000
Ta1 Ta 0.07904 0.08586 0.72695 1.00000
Ta2 Ta 0.91414 0.92096 0.27305 1.00000
Ta3 Ta 0.05846 0.94154 0.00000 1.00000
Se1 Se 0.62587 0.13938 0.73789 1.00000
Se2 Se 0.06379 0.08823 0.86926 1.00000
Se3 Se 0.13346 0.63450 0.73806 1.00000
Se4 Se 0.36550 0.86654 0.26194 1.00000
Se5 Se 0.86062 0.37413 0.26211 1.00000
Se6 Se 0.91177 0.93621 0.13074 1.00000
Se7 Se 0.20475 0.21281 0.60124 1.00000
Se8 Se 0.78719 0.79525 0.39876 1.00000
Se9 Se 0.50366 0.00054 0.00069 1.00000
Se10 Se 0.99946 0.49634 0.99931 1.00000
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