Y8TlAu4
Alexandria ALEXAlex-ID: agm097748152 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_240_spg12
Y5Tl3 Y2Au YAu
2025-06-19 19:56:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097748152).
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 agm097748152
data_agm097748152
_cell_length_a 4.81265
_cell_length_b 8.60386
_cell_length_c 9.18448
_cell_angle_alpha 70.39549
_cell_angle_beta 89.99732
_cell_angle_gamma 89.99547
_cell_volume 358.25985
_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
Y1 Y 0.38468 0.23345 0.14537 1.00000
Y2 Y 0.38458 0.72255 0.17046 1.00000
Y3 Y 0.38460 0.57329 0.78994 1.00000
Y4 Y 0.38467 0.09936 0.55372 1.00000
Y5 Y 0.88454 0.73690 0.48558 1.00000
Y6 Y 0.88463 0.42614 0.33316 1.00000
Y7 Y 0.88461 0.29769 0.77199 1.00000
Y8 Y 0.88462 0.84686 0.84394 1.00000
Tl1 Tl 0.38464 0.06656 0.89788 1.00000
Au1 Au 0.88454 0.92922 0.13750 1.00000
Au2 Au 0.88460 0.48984 0.99759 1.00000
Au3 Au 0.38460 0.48877 0.50186 1.00000
Au4 Au 0.88471 0.08937 0.37101 1.00000
Get direct link