Au3Se4
Alexandria ALEXAlex-ID: agm005488017 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_23_spg139
AuSe Se
2023-03-18 02:03:47.550120
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488017).
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 agm005488017
data_agm005488017
_cell_length_a 10.92615
_cell_length_b 10.92615
_cell_length_c 10.92615
_cell_angle_alpha 159.75885
_cell_angle_beta 159.75885
_cell_angle_gamma 28.77825
_cell_volume 156.04981
_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
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.68502 0.68502 0.00000 1.00000
Au3 Au 0.31498 0.31498 0.00000 1.00000
Se1 Se 0.80842 0.80842 0.00000 1.00000
Se2 Se 0.19158 0.19158 0.00000 1.00000
Se3 Se 0.56564 0.56564 0.00000 1.00000
Se4 Se 0.43436 0.43436 0.00000 1.00000
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