Ti3(NbMo)2
Alexandria ALEXAlex-ID: agm010037745 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_195_spg12
Nb8Mo Ti3Mo2 Ti
2024-03-19 01:16:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010037745).
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 agm010037745
data_agm010037745
_cell_length_a 5.36170
_cell_length_b 5.36170
_cell_length_c 5.42486
_cell_angle_alpha 85.21846
_cell_angle_beta 85.21846
_cell_angle_gamma 49.60682
_cell_volume 118.27434
_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 0.29043 0.29043 0.83872 1.00000
Ti2 Ti 0.00000 0.00000 0.00000 1.00000
Ti3 Ti 0.70957 0.70957 0.16128 1.00000
Nb1 Nb 0.58434 0.58434 0.70569 1.00000
Nb2 Nb 0.41566 0.41566 0.29431 1.00000
Mo1 Mo 0.13710 0.13710 0.43084 1.00000
Mo2 Mo 0.86290 0.86290 0.56916 1.00000
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