Ti7Mo2
Alexandria ALEXAlex-ID: agm012160232 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_131_spg2
Ti3Mo2 Ti
2024-10-22 22:34:36.519939
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012160232).
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 agm012160232
data_agm012160232
_cell_length_a 2.85618
_cell_length_b 6.93668
_cell_length_c 7.75105
_cell_angle_alpha 101.12021
_cell_angle_beta 90.40371
_cell_angle_gamma 92.46104
_cell_volume 150.52616
_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 0.51244 0.65184 0.78473 1.00000
Ti2 Ti 0.48756 0.34816 0.21527 1.00000
Ti3 Ti 0.04084 0.31862 0.55915 1.00000
Ti4 Ti 0.95916 0.68138 0.44085 1.00000
Ti5 Ti 0.00000 0.00000 0.00000 1.00000
Ti6 Ti 0.46775 0.00625 0.67501 1.00000
Ti7 Ti 0.53225 0.99375 0.32499 1.00000
Mo1 Mo 0.80582 0.33517 0.89001 1.00000
Mo2 Mo 0.19418 0.66483 0.10999 1.00000
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