Cu7Si4Se3
Alexandria ALEXAlex-ID: agm008426366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_153_spg2
Cu15Si4 SiSe2 Si
2024-06-27 13:22:39.961114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008426366).
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 agm008426366
data_agm008426366
_cell_length_a 6.58955
_cell_length_b 6.58955
_cell_length_c 10.34846
_cell_angle_alpha 78.53530
_cell_angle_beta 78.53530
_cell_angle_gamma 31.67734
_cell_volume 230.87920
_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 0.13483 0.13483 0.65287 1.00000
Cu2 Cu 0.69648 0.69648 0.26444 1.00000
Cu3 Cu 0.23436 0.23436 0.08284 1.00000
Cu4 Cu 0.86517 0.86517 0.34713 1.00000
Cu5 Cu 0.76564 0.76564 0.91716 1.00000
Cu6 Cu 0.00000 0.00000 0.50000 1.00000
Cu7 Cu 0.30352 0.30352 0.73556 1.00000
Si1 Si 0.13869 0.13869 0.89474 1.00000
Si2 Si 0.86131 0.86131 0.10526 1.00000
Si3 Si 0.77634 0.77634 0.57823 1.00000
Si4 Si 0.22366 0.22366 0.42177 1.00000
Se1 Se 0.50638 0.50638 0.32629 1.00000
Se2 Se 0.49362 0.49362 0.67371 1.00000
Se3 Se 0.50000 0.50000 0.00000 1.00000
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