Ta3Al
Alexandria ALEXAlex-ID: agm005491682 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_6_spg139
Ta2Al Ta
2023-03-18 08:19:40.412770
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005491682).
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 agm005491682
data_agm005491682
_cell_length_a 9.46119
_cell_length_b 9.46119
_cell_length_c 9.46119
_cell_angle_alpha 155.86811
_cell_angle_beta 155.86811
_cell_angle_gamma 34.38986
_cell_volume 141.41211
_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
Ta1 Ta 0.00000 0.50000 0.50000 1.00000
Ta2 Ta 0.50000 0.00000 0.50000 1.00000
Ta3 Ta 0.75000 0.25000 0.50000 1.00000
Ta4 Ta 0.25000 0.75000 0.50000 1.00000
Ta5 Ta 0.87577 0.87577 0.00000 1.00000
Ta6 Ta 0.12423 0.12423 0.00000 1.00000
Al1 Al 0.62480 0.62480 0.00000 1.00000
Al2 Al 0.37520 0.37520 0.00000 1.00000
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