Cu2As
Alexandria ALEXAlex-ID: agm002145694 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_304_spg14
As Cu
2018-06-12 02:20:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002145694).
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 agm002145694
data_agm002145694
_cell_length_a 3.78440
_cell_length_b 6.05417
_cell_length_c 8.44226
_cell_angle_alpha 90.00001
_cell_angle_beta 111.87901
_cell_angle_gamma 89.99994
_cell_volume 179.49226
_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
As1 As 0.12649 0.23402 0.38759 1.00000
As2 As 0.87351 0.73402 0.61241 1.00000
As3 As 0.37311 0.70412 0.11220 1.00000
As4 As 0.62689 0.20412 0.88780 1.00000
Cu1 Cu 0.59273 0.96940 0.36301 1.00000
Cu2 Cu 0.40728 0.46940 0.63699 1.00000
Cu3 Cu 0.53635 0.80810 0.83409 1.00000
Cu4 Cu 0.46365 0.30810 0.16591 1.00000
Cu5 Cu 0.03657 0.63069 0.33457 1.00000
Cu6 Cu 0.96343 0.13068 0.66544 1.00000
Cu7 Cu 0.09349 0.46798 0.86314 1.00000
Cu8 Cu 0.90652 0.96798 0.13685 1.00000
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