LaAs2Au3
Alexandria ALEXAlex-ID: agm035986983 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2241_spg12
LaAs2Au Au
2025-04-13 13:34:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035986983).
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 agm035986983
data_agm035986983
_cell_length_a 8.84473
_cell_length_b 8.84473
_cell_length_c 10.48251
_cell_angle_alpha 85.41874
_cell_angle_beta 94.58126
_cell_angle_gamma 150.91842
_cell_volume 397.22442
_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 0.79877 0.20123 0.31297 1.00000
La2 La 0.20123 0.79877 0.68703 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
As1 As 0.81458 0.18542 0.90295 1.00000
As2 As 0.18542 0.81458 0.09705 1.00000
As3 As 0.53045 0.46955 0.79256 1.00000
As4 As 0.46955 0.53045 0.20744 1.00000
As5 As 0.65151 0.34849 0.49256 1.00000
As6 As 0.34849 0.65151 0.50744 1.00000
Au1 Au 0.01653 0.98347 0.66528 1.00000
Au2 Au 0.98347 0.01653 0.33472 1.00000
Au3 Au 0.84053 0.15947 0.63704 1.00000
Au4 Au 0.15947 0.84053 0.36296 1.00000
Au5 Au 0.37936 0.62064 0.82437 1.00000
Au6 Au 0.62064 0.37936 0.17563 1.00000
Au7 Au 0.50000 0.50000 0.50000 1.00000
Au8 Au 0.66593 0.33407 0.90701 1.00000
Au9 Au 0.33407 0.66593 0.09299 1.00000
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