Ti7Ga4Sn
Alexandria ALEXAlex-ID: agm003664596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Ti5Ga3 TiGa Ti5GaSn3
2022-04-20 15:51:36.249109
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664596).
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 agm003664596
data_agm003664596
_cell_length_a 5.04399
_cell_length_b 8.73117
_cell_length_c 5.73786
_cell_angle_alpha 81.77303
_cell_angle_beta 63.92573
_cell_angle_gamma 73.21092
_cell_volume 217.26358
_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 0.78703 0.90189 0.52406 1.00000
Ti2 Ti 0.21297 0.09811 0.47594 1.00000
Ti3 Ti 0.03133 0.62911 0.30822 1.00000
Ti4 Ti 0.96867 0.37089 0.69178 1.00000
Ti5 Ti 0.34793 0.56206 0.74208 1.00000
Ti6 Ti 0.50000 0.00000 0.00000 1.00000
Ti7 Ti 0.65207 0.43794 0.25792 1.00000
Ga1 Ga 0.57277 0.22629 0.62816 1.00000
Ga2 Ga 0.42723 0.77371 0.37184 1.00000
Ga3 Ga 0.72129 0.67068 0.88675 1.00000
Ga4 Ga 0.27871 0.32932 0.11325 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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