Ti4Nb2Mo2W
Alexandria ALEXAlex-ID: agm004569201 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_330_spg2
Nb8Mo Ti3Mo2 NbW Ti
2022-06-19 22:11:23.871190
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004569201).
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 agm004569201
data_agm004569201
_cell_length_a 5.20060
_cell_length_b 6.87167
_cell_length_c 5.28053
_cell_angle_alpha 98.20805
_cell_angle_beta 121.72579
_cell_angle_gamma 94.32712
_cell_volume 156.30699
_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 0.66443 0.68574 0.99977 1.00000
Ti2 Ti 0.80114 0.61590 0.54668 1.00000
Ti3 Ti 0.33557 0.31426 0.00023 1.00000
Ti4 Ti 0.19886 0.38410 0.45332 1.00000
Nb1 Nb 0.29156 0.93135 0.63641 1.00000
Nb2 Nb 0.70844 0.06865 0.36359 1.00000
Mo1 Mo 0.75985 0.30760 0.87516 1.00000
Mo2 Mo 0.24015 0.69240 0.12484 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
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