V5(MoW2)2
Alexandria ALEXAlex-ID: agm005643944 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_613_spg12
V2W3 V2W5 V2MoW
2023-06-22 17:41:46.038482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643944).
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 agm005643944
data_agm005643944
_cell_length_a 2.65725
_cell_length_b 6.94918
_cell_length_c 9.24673
_cell_angle_alpha 90.79454
_cell_angle_beta 96.41309
_cell_angle_gamma 101.32466
_cell_volume 166.26266
_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
V1 V 0.93783 0.08769 0.27129 1.00000
V2 V 0.06217 0.91231 0.72871 1.00000
V3 V 0.20491 0.73509 0.17755 1.00000
V4 V 0.50000 0.00000 0.00000 1.00000
V5 V 0.79509 0.26491 0.82245 1.00000
Mo1 Mo 0.81879 0.17834 0.54806 1.00000
Mo2 Mo 0.18121 0.82166 0.45194 1.00000
W1 W 0.62905 0.45320 0.36120 1.00000
W2 W 0.29413 0.35858 0.08596 1.00000
W3 W 0.37095 0.54680 0.63880 1.00000
W4 W 0.70587 0.64142 0.91404 1.00000
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