Er2Cu2As3
Alexandria ALEXAlex-ID: agm012114465 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_563_spg12
ErCuAs2 Cu ErAs
2024-06-24 11:24:11.874389
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012114465).
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 agm012114465
data_agm012114465
_cell_length_a 7.66417
_cell_length_b 7.66417
_cell_length_c 11.17019
_cell_angle_alpha 55.93512
_cell_angle_beta 55.93512
_cell_angle_gamma 30.81379
_cell_volume 273.55250
_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
Er1 Er 0.26015 0.26015 0.34296 1.00000
Er2 Er 0.73985 0.73985 0.65704 1.00000
Er3 Er 0.40058 0.40058 0.93697 1.00000
Er4 Er 0.59942 0.59942 0.06303 1.00000
Cu1 Cu 0.04851 0.04851 0.68502 1.00000
Cu2 Cu 0.95149 0.95149 0.31498 1.00000
Cu3 Cu 0.41002 0.41002 0.66048 1.00000
Cu4 Cu 0.58998 0.58998 0.33952 1.00000
As1 As 0.08953 0.08953 0.86925 1.00000
As2 As 0.91047 0.91047 0.13075 1.00000
As3 As 0.16412 0.16412 0.18169 1.00000
As4 As 0.83588 0.83588 0.81831 1.00000
As5 As 0.38427 0.38427 0.46471 1.00000
As6 As 0.61573 0.61573 0.53529 1.00000
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