Ti6Al2Zn
Alexandria ALEXAlex-ID: agm005754340 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1803_spg12
Ti2AlZn Ti5AlZn4 Ti3Al
2023-07-12 09:35:29.248278
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754340).
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 agm005754340
data_agm005754340
_cell_length_a 2.91822
_cell_length_b 9.88696
_cell_length_c 7.05763
_cell_angle_alpha 48.25921
_cell_angle_beta 89.96270
_cell_angle_gamma 98.46109
_cell_volume 148.93965
_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
Ti1 Ti 0.94339 0.38724 0.28464 1.00000
Ti2 Ti 0.05660 0.61276 0.71537 1.00000
Ti3 Ti 0.72455 0.94898 0.37711 1.00000
Ti4 Ti 0.83692 0.17352 0.83604 1.00000
Ti5 Ti 0.16309 0.82648 0.16396 1.00000
Ti6 Ti 0.27545 0.05102 0.62288 1.00000
Al1 Al 0.38913 0.27833 0.06998 1.00000
Al2 Al 0.61087 0.72167 0.93003 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
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