Ti2Nb2Ga5
Alexandria ALEXAlex-ID: agm003313086 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_306_spg12
Ti2Ga3 TiGa2 Nb3Ga2
2022-01-22 03:56:28.200461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003313086).
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 agm003313086
data_agm003313086
_cell_length_a 4.94059
_cell_length_b 6.69033
_cell_length_c 7.59156
_cell_angle_alpha 134.90720
_cell_angle_beta 90.00000
_cell_angle_gamma 111.66836
_cell_volume 151.66087
_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 0.10693 0.21386 0.76766 1.00000
Ti2 Ti 0.89307 0.78614 0.23234 1.00000
Nb1 Nb 0.33320 0.66640 0.33573 1.00000
Nb2 Nb 0.66680 0.33360 0.66427 1.00000
Ga1 Ga 0.43051 0.86101 0.10244 1.00000
Ga2 Ga 0.56949 0.13899 0.89756 1.00000
Ga3 Ga 0.22823 0.45647 0.56199 1.00000
Ga4 Ga 0.77177 0.54353 0.43801 1.00000
Ga5 Ga 0.00000 0.00000 0.00000 1.00000
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