Cu2SeF
Alexandria ALEXAlex-ID: agm005106967 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_36_spg160
Cu7F12 Cu3Se2 CuSe
2022-07-06 14:42:09.490764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005106967).
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 agm005106967
data_agm005106967
_cell_length_a 3.42025
_cell_length_b 3.42025
_cell_length_c 6.19494
_cell_angle_alpha 73.97528
_cell_angle_beta 73.97528
_cell_angle_gamma 60.00000
_cell_volume 59.48646
_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 0.08773 0.08773 0.73682 1.00000
Cu2 Cu 0.25260 0.25260 0.24221 1.00000
Se1 Se 0.66876 0.66876 0.99370 1.00000
F1 F 0.49091 0.49091 0.52726 1.00000
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