TiW4
Alexandria ALEXAlex-ID: agm034345951 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_8_spg55
TiW4
2025-03-02 04:57:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034345951).
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 agm034345951
data_agm034345951
_cell_length_a 11.36161
_cell_length_b 11.36161
_cell_length_c 4.50709
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 163.96585
_cell_volume 160.70002
_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 0.85026 0.14974 0.25000 1.00000
Ti2 Ti 0.14974 0.85026 0.75000 1.00000
W1 W 0.65010 0.34990 0.25000 1.00000
W2 W 0.34990 0.65010 0.75000 1.00000
W3 W 0.45101 0.54899 0.25000 1.00000
W4 W 0.54899 0.45101 0.75000 1.00000
W5 W 0.05025 0.94975 0.25000 1.00000
W6 W 0.94975 0.05025 0.75000 1.00000
W7 W 0.24789 0.75211 0.25000 1.00000
W8 W 0.75211 0.24789 0.75000 1.00000
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