Ti3Mo5
Alexandria ALEXAlex-ID: agm008906952 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_25_spg38
Ti2Mo3 TiMo2
2024-03-08 12:01:06.864712
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008906952).
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 agm008906952
data_agm008906952
_cell_length_a 9.24466
_cell_length_b 9.24466
_cell_length_c 9.24466
_cell_angle_alpha 160.31185
_cell_angle_beta 151.53547
_cell_angle_gamma 34.84983
_cell_volume 126.74218
_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 0.87737 0.87737 0.00000 1.00000
Ti2 Ti 0.50000 0.00000 0.50000 1.00000
Ti3 Ti 0.12263 0.12263 0.00000 1.00000
Mo1 Mo 0.74660 0.24660 0.50000 1.00000
Mo2 Mo 0.25340 0.75340 0.50000 1.00000
Mo3 Mo 0.37251 0.37251 0.00000 1.00000
Mo4 Mo 0.62749 0.62749 0.00000 1.00000
Mo5 Mo 0.00000 0.50000 0.50000 1.00000
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