Al5Tc3
Alexandria ALEXAlex-ID: agm005523554 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_424_spg8
AlTc2 Al2Tc
2023-08-03 06:32:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005523554).
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 agm005523554
data_agm005523554
_cell_length_a 7.42318
_cell_length_b 7.42317
_cell_length_c 7.34670
_cell_angle_alpha 96.33525
_cell_angle_beta 96.33528
_cell_angle_gamma 141.21294
_cell_volume 239.18422
_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
Tc1 Tc 0.75047 0.74923 0.00000 1.00000
Tc2 Tc 0.24915 0.25055 0.00000 1.00000
Tc3 Tc 0.31980 0.17960 0.50000 1.00000
Tc4 Tc 0.67904 0.82034 0.50000 1.00000
Tc5 Tc 0.17364 0.67433 0.85736 1.00000
Tc6 Tc 0.82536 0.32605 0.14264 1.00000
Al1 Al 0.24938 0.74972 0.49992 1.00000
Al2 Al 0.74983 0.25017 0.50008 1.00000
Al3 Al 0.75880 0.06467 0.83010 1.00000
Al4 Al 0.24075 0.93554 0.17033 1.00000
Al5 Al 0.73809 0.56696 0.30496 1.00000
Al6 Al 0.26101 0.43316 0.69525 1.00000
Al7 Al 0.56412 0.25891 0.82967 1.00000
Al8 Al 0.43499 0.74087 0.16990 1.00000
Al9 Al 0.06636 0.23850 0.30476 1.00000
Al10 Al 0.93256 0.76144 0.69504 1.00000
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