La(GaAu3)3
Alexandria ALEXAlex-ID: agm006019727 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_17_spg12
GaAu GaAu2 La14Au51
2023-08-09 16:22:07.494401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019727).
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 agm006019727
data_agm006019727
_cell_length_a 5.49945
_cell_length_b 6.90988
_cell_length_c 7.37702
_cell_angle_alpha 83.59532
_cell_angle_beta 68.11516
_cell_angle_gamma 72.58630
_cell_volume 248.20661
_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 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Ga2 Ga 0.00000 0.00000 0.50000 1.00000
Ga3 Ga 0.50000 0.00000 0.50000 1.00000
Au1 Au 0.68421 0.78521 0.78482 1.00000
Au2 Au 0.31579 0.21479 0.21518 1.00000
Au3 Au 0.53098 0.21479 0.78482 1.00000
Au4 Au 0.46902 0.78521 0.21518 1.00000
Au5 Au 0.69282 0.33347 0.35584 1.00000
Au6 Au 0.30718 0.66653 0.64416 1.00000
Au7 Au 0.95134 0.66653 0.35584 1.00000
Au8 Au 0.04866 0.33347 0.64416 1.00000
Au9 Au 0.00000 0.50000 0.00000 1.00000
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