La6GaCu5
Alexandria ALEXAlex-ID: agm006136453 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
La5Ga3 LaCu2 LaCu
2023-08-25 10:57:32.331729
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136453).
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 agm006136453
data_agm006136453
_cell_length_a 5.17632
_cell_length_b 7.38196
_cell_length_c 8.23265
_cell_angle_alpha 89.99907
_cell_angle_beta 108.31553
_cell_angle_gamma 89.99966
_cell_volume 298.64428
_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
Cu1 Cu 0.66569 0.50000 0.33417 1.00000
Cu2 Cu 0.34813 0.00002 0.68937 1.00000
Cu3 Cu 0.00000 0.50000 0.00000 1.00000
Cu4 Cu 0.65187 0.99998 0.31063 1.00000
Cu5 Cu 0.33431 0.50000 0.66583 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
La1 La 0.83019 0.75141 0.65941 1.00000
La2 La 0.83018 0.24863 0.65941 1.00000
La3 La 0.50000 0.26019 0.00001 1.00000
La4 La 0.50000 0.73981 0.99999 1.00000
La5 La 0.16982 0.75137 0.34059 1.00000
La6 La 0.16981 0.24859 0.34059 1.00000
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