TiNb4W
Alexandria ALEXAlex-ID: agm070323693 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_687_spg12
Nb15W NbW Ti
2025-04-14 13:18:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070323693).
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 agm070323693
data_agm070323693
_cell_length_a 5.42554
_cell_length_b 5.42554
_cell_length_c 5.66924
_cell_angle_alpha 58.80189
_cell_angle_beta 121.19811
_cell_angle_gamma 129.51922
_cell_volume 105.53498
_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 0.00000 0.00000 0.50000 1.00000
Nb1 Nb 0.33994 0.66006 0.66946 1.00000
Nb2 Nb 0.66006 0.33994 0.33054 1.00000
Nb3 Nb 0.32494 0.67506 0.15606 1.00000
Nb4 Nb 0.67506 0.32494 0.84394 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
Get direct link