Cu8BiSe6
Alexandria ALEXAlex-ID: agm073017252 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_1079_spg2
Cu3Se2 Bi2Se3 Cu
2024-10-06 01:28:59.695466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073017252).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm073017252
data_agm073017252
_cell_length_a 5.22647
_cell_length_b 7.41330
_cell_length_c 8.12035
_cell_angle_alpha 75.12474
_cell_angle_beta 91.38450
_cell_angle_gamma 70.83313
_cell_volume 285.19177
_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 0.41788 0.61650 0.34571 1.00000
Cu2 Cu 0.58212 0.38350 0.65429 1.00000
Cu3 Cu 0.27288 0.96528 0.51139 1.00000
Cu4 Cu 0.88428 0.68604 0.27804 1.00000
Cu5 Cu 0.35544 0.73295 0.82759 1.00000
Cu6 Cu 0.72712 0.03472 0.48861 1.00000
Cu7 Cu 0.11572 0.31396 0.72196 1.00000
Cu8 Cu 0.64456 0.26705 0.17241 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.48431 0.97854 0.24218 1.00000
Se2 Se 0.12579 0.67427 0.57438 1.00000
Se3 Se 0.21544 0.56433 0.09507 1.00000
Se4 Se 0.51569 0.02146 0.75782 1.00000
Se5 Se 0.87421 0.32573 0.42562 1.00000
Se6 Se 0.78456 0.43567 0.90493 1.00000
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