V3MoW3
Alexandria ALEXAlex-ID: agm003545509 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_343_spg12
V2W3 V2W5 V2MoW
2022-04-25 21:51:48.007276
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545509).
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 agm003545509
data_agm003545509
_cell_length_a 5.23337
_cell_length_b 5.23337
_cell_length_c 8.46093
_cell_angle_alpha 90.00355
_cell_angle_beta 90.00355
_cell_angle_gamma 109.80389
_cell_volume 218.02401
_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 0.74676 0.74677 0.99999 1.00000
V2 V 1.00000 0.49999 0.74466 1.00000
V3 V 0.49999 1.00000 0.74466 1.00000
V4 V 0.00000 0.50001 0.25534 1.00000
V5 V 0.50001 0.00000 0.25534 1.00000
V6 V 0.25324 0.25323 0.00001 1.00000
Mo1 Mo 0.99999 0.99999 0.74795 1.00000
Mo2 Mo 0.00001 0.00001 0.25205 1.00000
W1 W 0.50003 0.50003 0.30636 1.00000
W2 W 0.21148 0.78853 0.50000 1.00000
W3 W 0.78852 0.21147 0.50000 1.00000
W4 W 0.25493 0.74508 0.00000 1.00000
W5 W 0.74507 0.25492 1.00000 1.00000
W6 W 0.49997 0.49997 0.69364 1.00000
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