LaZrAlTlV
Alexandria ALEXAlex-ID: agm002056808 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE_16_spg8
Zr6Al7 AlV7 Zr4Al3 LaTl
2021-09-24 23:35:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002056808).
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 agm002056808
data_agm002056808
_cell_length_a 3.18318
_cell_length_b 5.87347
_cell_length_c 6.42741
_cell_angle_alpha 81.31870
_cell_angle_beta 76.30376
_cell_angle_gamma 77.62848
_cell_volume 113.40299
_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
Tl1 Tl 0.64822 0.75399 0.10806 1.00000
V1 V 0.91609 0.80787 0.50267 1.00000
Al1 Al 0.20392 0.05359 0.75855 1.00000
Zr1 Zr 0.46790 0.50282 0.76585 1.00000
La1 La 0.01034 0.22434 0.29744 1.00000
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