Er4GaCuAg2
Alexandria ALEXAlex-ID: agm004797331 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
ErGa ErCu ErAg
2022-07-13 15:01:39.928077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004797331).
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 agm004797331
data_agm004797331
_cell_length_a 5.02473
_cell_length_b 5.02473
_cell_length_c 8.71988
_cell_angle_alpha 73.25460
_cell_angle_beta 73.25460
_cell_angle_gamma 60.00000
_cell_volume 179.80246
_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 0.37774 0.37774 0.86679 1.00000
Er2 Er 0.87264 0.87264 0.38207 1.00000
Er3 Er 0.12736 0.12736 0.61793 1.00000
Er4 Er 0.62226 0.62226 0.13321 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.74802 0.74802 0.75595 1.00000
Ag2 Ag 0.25198 0.25198 0.24405 1.00000
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