TiMnGa
Alexandria ALEXAlex-ID: agm005641958 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_520_spg12
TiGa2 TiMn2
2023-06-18 13:11:50.750578
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641958).
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 agm005641958
data_agm005641958
_cell_length_a 4.34031
_cell_length_b 4.41495
_cell_length_c 6.15181
_cell_angle_alpha 100.93951
_cell_angle_beta 69.34335
_cell_angle_gamma 60.55752
_cell_volume 85.99020
_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 0.70877 0.93096 0.65151 1.00000
Ti2 Ti 0.29123 0.06904 0.34849 1.00000
Mn1 Mn 0.32347 0.64680 0.70626 1.00000
Mn2 Mn 0.67653 0.35320 0.29374 1.00000
Ga1 Ga 0.13305 0.59409 0.13980 1.00000
Ga2 Ga 0.86695 0.40591 0.86020 1.00000
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