Ti8WN4
Alexandria ALEXAlex-ID: agm097907934 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1597_spg6
TiW8 Ti4N3 Ti2N
2025-06-17 14:58:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097907934).
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 agm097907934
data_agm097907934
_cell_length_a 2.94253
_cell_length_b 8.12467
_cell_length_c 8.04951
_cell_angle_alpha 59.50626
_cell_angle_beta 90.00198
_cell_angle_gamma 89.99986
_cell_volume 165.82288
_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 0.80766 0.26731 0.07057 1.00000
Ti2 Ti 0.80759 0.59910 0.11072 1.00000
Ti3 Ti 0.30776 0.61123 0.76859 1.00000
Ti4 Ti 0.80781 0.29823 0.72281 1.00000
Ti5 Ti 0.80774 0.91535 0.40600 1.00000
Ti6 Ti 0.30774 0.24472 0.39893 1.00000
Ti7 Ti 0.30770 0.60256 0.40778 1.00000
Ti8 Ti 0.80779 0.93715 0.74605 1.00000
W1 W 0.30754 0.96574 0.04651 1.00000
N1 N 0.80759 0.78674 0.23436 1.00000
N2 N 0.30760 0.43348 0.08312 1.00000
N3 N 0.80771 0.40899 0.42558 1.00000
N4 N 0.30777 0.92940 0.57900 1.00000
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