V4Mo
Alexandria ALEXAlex-ID: agm017421874 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_498_spg2
V5Mo V3Mo2
2024-12-09 20:54:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017421874).
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
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# CIF generated by HEAS from Alexandria entry agm017421874
data_agm017421874
_cell_length_a 5.00339
_cell_length_b 5.00339
_cell_length_c 7.52292
_cell_angle_alpha 75.29340
_cell_angle_beta 104.70660
_cell_angle_gamma 129.53729
_cell_volume 139.40356
_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 0.54916 0.45084 0.35212 1.00000
V2 V 0.45084 0.54916 0.64788 1.00000
V3 V 0.84736 0.15264 0.44823 1.00000
V4 V 0.34714 0.65286 0.95044 1.00000
V5 V 0.75392 0.24608 0.74247 1.00000
V6 V 0.15264 0.84736 0.55177 1.00000
V7 V 0.24608 0.75392 0.25753 1.00000
V8 V 0.65286 0.34714 0.04956 1.00000
Mo1 Mo 0.94781 0.05219 0.15196 1.00000
Mo2 Mo 0.05219 0.94781 0.84804 1.00000
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