CuTe5F3
Alexandria ALEXAlex-ID: agm072191663 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1083_spg1
CuTe TeF4 Te
2024-09-24 08:22:16.395149
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072191663).
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 agm072191663
data_agm072191663
_cell_length_a 4.61911
_cell_length_b 8.09124
_cell_length_c 7.85469
_cell_angle_alpha 97.22043
_cell_angle_beta 91.31572
_cell_angle_gamma 109.91082
_cell_volume 273.14538
_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
Cu1 Cu 0.80139 0.94538 0.05867 1.00000
Te1 Te 0.84114 0.12983 0.57286 1.00000
Te2 Te 0.09361 0.94421 0.78705 1.00000
Te3 Te 0.01282 0.74879 0.23176 1.00000
Te4 Te 0.59782 0.74570 0.51275 1.00000
Te5 Te 0.25393 0.13472 0.29205 1.00000
F1 F 0.35024 0.76132 0.02674 1.00000
F2 F 0.47027 0.46193 0.44005 1.00000
F3 F 0.57877 0.12810 0.07806 1.00000
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