V3(MoW)4
Alexandria ALEXAlex-ID: agm005708173 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
V2Mo2W3 VMo2W
2023-06-29 23:07:22.252756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708173).
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 agm005708173
data_agm005708173
_cell_length_a 4.41241
_cell_length_b 2.73248
_cell_length_c 14.26494
_cell_angle_alpha 97.21627
_cell_angle_beta 98.89703
_cell_angle_gamma 90.00001
_cell_volume 168.54109
_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 0.36441 0.82663 0.72882 1.00000
V2 V 0.63559 0.17337 0.27118 1.00000
V3 V 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.81981 0.09240 0.63963 1.00000
Mo2 Mo 0.45487 0.27451 0.90975 1.00000
Mo3 Mo 0.54513 0.72549 0.09025 1.00000
Mo4 Mo 0.18019 0.90760 0.36037 1.00000
W1 W 0.27383 0.36175 0.54765 1.00000
W2 W 0.08990 0.45513 0.17980 1.00000
W3 W 0.91010 0.54487 0.82020 1.00000
W4 W 0.72617 0.63825 0.45235 1.00000
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