Li3As2Au
Alexandria ALEXAlex-ID: agm005676964 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2558_spg2
Li3As7 Li2As Li2AsAu
2023-08-22 09:18:43.258856
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676964).
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 agm005676964
data_agm005676964
_cell_length_a 9.07369
_cell_length_b 6.14049
_cell_length_c 8.74048
_cell_angle_alpha 90.30610
_cell_angle_beta 111.53312
_cell_angle_gamma 99.24771
_cell_volume 446.01667
_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
Li1 Li 0.34476 0.04726 0.01192 1.00000
Li2 Li 0.19163 0.46709 0.46567 1.00000
Li3 Li 0.65524 0.95273 0.98806 1.00000
Li4 Li 0.80837 0.53292 0.53431 1.00000
Li5 Li 0.30886 0.53220 0.03455 1.00000
Li6 Li 0.15499 0.95200 0.48798 1.00000
Li7 Li 0.69114 0.46780 0.96547 1.00000
Li8 Li 0.84501 0.04801 0.51203 1.00000
Li9 Li 0.99029 0.80283 0.08247 1.00000
Li10 Li 0.50978 0.19708 0.41747 1.00000
Li11 Li 0.00970 0.19717 0.91753 1.00000
Li12 Li 0.49022 0.80293 0.58253 1.00000
As1 As 0.80928 0.71304 0.26299 1.00000
As2 As 0.69086 0.28732 0.23700 1.00000
As3 As 0.19072 0.28701 0.73701 1.00000
As4 As 0.30914 0.71262 0.76301 1.00000
As5 As 0.28024 0.80105 0.27525 1.00000
As6 As 0.21983 0.19868 0.22475 1.00000
As7 As 0.71976 0.19899 0.72475 1.00000
As8 As 0.78017 0.80128 0.77525 1.00000
Au1 Au 0.55401 0.81466 0.26717 1.00000
Au2 Au 0.94612 0.18546 0.23287 1.00000
Au3 Au 0.44600 0.18534 0.73283 1.00000
Au4 Au 0.05388 0.81453 0.76713 1.00000
