La3Ga3Cu8
Alexandria ALEXAlex-ID: agm005687059 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
LaCu5 LaGa2 Cu
2023-06-29 09:55:55.949615
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687059).
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 agm005687059
data_agm005687059
_cell_length_a 4.28173
_cell_length_b 8.13008
_cell_length_c 8.35331
_cell_angle_alpha 66.43914
_cell_angle_beta 75.14997
_cell_angle_gamma 74.73247
_cell_volume 253.35925
_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
La1 La 0.30251 0.72659 0.66839 1.00000
La2 La 0.69749 0.27341 0.33161 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.00000 0.50000 0.50000 1.00000
Ga2 Ga 0.67587 0.66421 0.98405 1.00000
Ga3 Ga 0.32413 0.33579 0.01595 1.00000
Cu1 Cu 0.10952 0.16209 0.61887 1.00000
Cu2 Cu 0.89048 0.83791 0.38113 1.00000
Cu3 Cu 0.87299 0.41978 0.83424 1.00000
Cu4 Cu 0.12701 0.58022 0.16576 1.00000
Cu5 Cu 0.50831 0.68992 0.29345 1.00000
Cu6 Cu 0.49169 0.31008 0.70655 1.00000
Cu7 Cu 0.35226 0.01813 0.27734 1.00000
Cu8 Cu 0.64774 0.98187 0.72266 1.00000
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