Ti5WC6
Alexandria ALEXAlex-ID: agm006120107 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Ti5WC6
2023-08-21 01:37:58.156106
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006120107).
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 agm006120107
data_agm006120107
_cell_length_a 5.31411
_cell_length_b 5.31260
_cell_length_c 5.31387
_cell_angle_alpha 60.00792
_cell_angle_beta 80.36831
_cell_angle_gamma 70.44520
_cell_volume 122.43711
_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
C1 C 0.75106 0.08289 0.33303 1.00000
C2 C 0.24894 0.58408 0.33303 1.00000
C3 C 0.24967 0.24918 1.00000 1.00000
C4 C 0.75033 0.75082 0.00000 1.00000
C5 C 0.75106 0.41592 0.66697 1.00000
C6 C 0.24894 0.91711 0.66697 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.50000 0.16845 0.66311 1.00000
Ti2 Ti 1.00000 0.33350 0.33301 1.00000
Ti3 Ti 0.50000 0.50000 0.00000 1.00000
Ti4 Ti 0.00000 0.66650 0.66699 1.00000
Ti5 Ti 0.50000 0.83155 0.33689 1.00000
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