Er4Cu2Au
Alexandria ALEXAlex-ID: agm003458786 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1104_spg1
Er2Au ErCu
2022-02-17 10:55:42.594682
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458786).
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 agm003458786
data_agm003458786
_cell_length_a 7.07478
_cell_length_b 7.38352
_cell_length_c 7.38601
_cell_angle_alpha 105.72635
_cell_angle_beta 106.51417
_cell_angle_gamma 107.42793
_cell_volume 325.07185
_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 0.00636 0.26418 0.38774 1.00000
Er2 Er 0.34705 0.45785 0.12435 1.00000
Er3 Er 0.75301 0.58998 0.59739 1.00000
Er4 Er 0.78247 0.18103 0.77017 1.00000
Er5 Er 0.41458 0.05205 0.31419 1.00000
Er6 Er 0.20471 0.00939 0.69948 1.00000
Er7 Er 0.56009 0.82139 0.94609 1.00000
Er8 Er 0.92205 0.64020 0.16319 1.00000
Cu1 Cu 0.44009 0.38986 0.72555 1.00000
Cu2 Cu 0.72662 0.86727 0.38583 1.00000
Cu3 Cu 0.61528 0.25171 0.08945 1.00000
Cu4 Cu 0.12503 0.54039 0.79896 1.00000
Au1 Au 0.33622 0.70504 0.49788 1.00000
Au2 Au 0.01644 0.97968 0.99973 1.00000
Get direct link