CsTeF5
Alexandria ALEXAlex-ID: agm077728279 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_5_spg15
CsTeF5
2025-01-09 10:22:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077728279).
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 agm077728279
data_agm077728279
_cell_length_a 6.97552
_cell_length_b 6.97552
_cell_length_c 9.84965
_cell_angle_alpha 62.70824
_cell_angle_beta 117.29176
_cell_angle_gamma 112.75066
_cell_volume 368.93034
_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 0.47042 0.48274 0.75289 1.00000
Cs2 Cs 0.51726 0.52958 0.25289 1.00000
Te1 Te 0.98022 0.00386 0.98266 1.00000
Te2 Te 0.99614 0.01978 0.48266 1.00000
F1 F 0.73893 0.72410 0.99904 1.00000
F2 F 0.23305 0.26065 0.02618 1.00000
F3 F 0.73935 0.76695 0.52618 1.00000
F4 F 0.27590 0.26107 0.49904 1.00000
F5 F 0.76812 0.16839 0.94305 1.00000
F6 F 0.20190 0.81822 0.09305 1.00000
F7 F 0.18178 0.79810 0.59305 1.00000
F8 F 0.83161 0.23188 0.44305 1.00000
F9 F 0.07084 0.99211 0.70297 1.00000
F10 F 0.00789 0.92916 0.20297 1.00000
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