Ti2V5W4
Alexandria ALEXAlex-ID: agm005677475 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_772_spg12
VW V3W2 Ti
2023-06-22 17:48:54.834829
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677475).
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 agm005677475
data_agm005677475
_cell_length_a 2.68759
_cell_length_b 6.83833
_cell_length_c 9.52059
_cell_angle_alpha 95.80190
_cell_angle_beta 75.61747
_cell_angle_gamma 99.95833
_cell_volume 166.62772
_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 0.45306 0.27016 0.81702 1.00000
Ti2 Ti 0.54694 0.72984 0.18298 1.00000
V1 V 0.05503 0.54682 0.62811 1.00000
V2 V 0.94497 0.45318 0.37189 1.00000
V3 V 0.79155 0.91110 0.72189 1.00000
V4 V 0.50000 0.00000 0.00000 1.00000
V5 V 0.20845 0.08890 0.27811 1.00000
W1 W 0.35103 0.18549 0.54308 1.00000
W2 W 0.07576 0.64461 0.90176 1.00000
W3 W 0.64897 0.81451 0.45692 1.00000
W4 W 0.92424 0.35539 0.09824 1.00000
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