La(Al2V)2
Alexandria ALEXAlex-ID: agm002196331 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_115_spg139
LaAl2 AlV
2018-06-29 16:22:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002196331).
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 agm002196331
data_agm002196331
_cell_length_a 5.21531
_cell_length_b 5.54746
_cell_length_c 5.54746
_cell_angle_alpha 77.25398
_cell_angle_beta 61.98452
_cell_angle_gamma 61.98452
_cell_volume 125.08716
_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
V1 V 0.74977 0.50011 0.50011 1.00000
V2 V 0.25023 0.49989 0.49989 1.00000
Al1 Al 0.30397 0.39203 0.99999 1.00000
Al2 Al 0.69603 0.60797 0.00001 1.00000
Al3 Al 0.69603 0.00001 0.60797 1.00000
Al4 Al 0.30397 0.99999 0.39203 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
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