Ti4Ga5Mo
Alexandria ALEXAlex-ID: agm003658826 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
GaMo3 Ti3Ga2Mo TiGa2
2022-04-08 05:40:41.567275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003658826).
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
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# CIF generated by HEAS from Alexandria entry agm003658826
data_agm003658826
_cell_length_a 5.18568
_cell_length_b 6.36038
_cell_length_c 6.36038
_cell_angle_alpha 80.43406
_cell_angle_beta 65.94240
_cell_angle_gamma 65.94240
_cell_volume 174.92143
_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 0.40307 0.39888 0.79668 1.00000
Ti2 Ti 0.80196 0.79668 0.60112 1.00000
Ti3 Ti 0.19975 0.20332 0.39888 1.00000
Ti4 Ti 0.59864 0.60112 0.20332 1.00000
Ga1 Ga 0.90141 0.39591 0.80302 1.00000
Ga2 Ga 0.29732 0.80302 0.60409 1.00000
Ga3 Ga 0.70442 0.19698 0.39591 1.00000
Ga4 Ga 0.10033 0.60409 0.19698 1.00000
Ga5 Ga 0.50168 0.00000 0.00000 1.00000
Mo1 Mo 0.00171 1.00000 1.00000 1.00000
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