Au5Se4
Alexandria ALEXAlex-ID: agm010137002 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_770_spg14
AuSe Au
2024-03-08 00:13:14.706478
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010137002).
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 agm010137002
data_agm010137002
_cell_length_a 4.86342
_cell_length_b 7.37636
_cell_length_c 13.37973
_cell_angle_alpha 63.04659
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 427.84982
_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 0.10824 0.15985 0.41416 1.00000
Au2 Au 0.60803 0.54543 0.73463 1.00000
Au3 Au 0.39197 0.54543 0.23463 1.00000
Au4 Au 0.89176 0.15985 0.91416 1.00000
Au5 Au 0.40018 0.11332 0.16397 1.00000
Au6 Au 0.90005 0.59206 0.98468 1.00000
Au7 Au 0.09995 0.59206 0.48468 1.00000
Au8 Au 0.59982 0.11332 0.66397 1.00000
Au9 Au 0.75006 0.85270 0.32433 1.00000
Au10 Au 0.24994 0.85270 0.82433 1.00000
Se1 Se 0.07258 0.83736 0.18252 1.00000
Se2 Se 0.57240 0.86794 0.96619 1.00000
Se3 Se 0.42760 0.86794 0.46619 1.00000
Se4 Se 0.92742 0.83736 0.68252 1.00000
Se5 Se 0.73751 0.34764 0.18712 1.00000
Se6 Se 0.23740 0.35774 0.96153 1.00000
Se7 Se 0.76260 0.35774 0.46153 1.00000
Se8 Se 0.26249 0.34764 0.68712 1.00000
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