La(Tl3Au4)2
Alexandria ALEXAlex-ID: agm072895334 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_74_spg148
Tl4Au3 Tl2Au La14Au51
2024-10-06 18:05:33.750450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072895334).
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
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# CIF generated by HEAS from Alexandria entry agm072895334
data_agm072895334
_cell_length_a 5.46763
_cell_length_b 7.73341
_cell_length_c 9.21613
_cell_angle_alpha 96.71219
_cell_angle_beta 85.71473
_cell_angle_gamma 102.15728
_cell_volume 377.83498
_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 0.88277 0.63913 0.87158 1.00000
Tl1 Tl 0.68444 0.30473 0.55554 1.00000
Tl2 Tl 0.62769 0.91224 0.27605 1.00000
Tl3 Tl 0.27063 0.95342 0.58068 1.00000
Tl4 Tl 0.06741 0.11050 0.04042 1.00000
Tl5 Tl 0.23074 0.46538 0.39424 1.00000
Tl6 Tl 0.70573 0.36982 0.19862 1.00000
Au1 Au 0.77194 0.95739 0.72658 1.00000
Au2 Au 0.33399 0.49628 0.01540 1.00000
Au3 Au 0.82649 0.69968 0.48060 1.00000
Au4 Au 0.40618 0.62451 0.68906 1.00000
Au5 Au 0.58758 0.23388 0.88643 1.00000
Au6 Au 0.07849 0.72939 0.20176 1.00000
Au7 Au 0.42173 0.86451 0.96840 1.00000
Au8 Au 0.10698 0.29714 0.74643 1.00000
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