Ti5Zn2Ga5
Alexandria ALEXAlex-ID: agm005665443 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
TiZn2Ga TiGa
2023-06-19 08:04:40.003719
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665443).
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 agm005665443
data_agm005665443
_cell_length_a 4.12333
_cell_length_b 7.24102
_cell_length_c 7.15886
_cell_angle_alpha 97.75378
_cell_angle_beta 73.26244
_cell_angle_gamma 73.45785
_cell_volume 190.65945
_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 0.00000 0.50000 0.50000 1.00000
Ti2 Ti 0.68132 0.72325 0.91411 1.00000
Ti3 Ti 0.34806 0.97556 0.32832 1.00000
Ti4 Ti 0.65194 0.02444 0.67168 1.00000
Ti5 Ti 0.31868 0.27675 0.08589 1.00000
Zn1 Zn 0.38546 0.46242 0.76667 1.00000
Zn2 Zn 0.61454 0.53758 0.23333 1.00000
Ga1 Ga 0.69842 0.23269 0.37047 1.00000
Ga2 Ga 0.95055 0.28798 0.81092 1.00000
Ga3 Ga 0.04945 0.71202 0.18908 1.00000
Ga4 Ga 0.30158 0.76731 0.62953 1.00000
Ga5 Ga 0.00000 0.00000 0.00000 1.00000
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