AlV2Mo3
Alexandria ALEXAlex-ID: agm005809099 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1032_spg12
V2Mo3 Al2(VMo)3 AlMo3
2023-08-26 18:15:41.197670
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809099).
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 agm005809099
data_agm005809099
_cell_length_a 4.40859
_cell_length_b 6.97606
_cell_length_c 7.54491
_cell_angle_alpha 123.49644
_cell_angle_beta 90.04956
_cell_angle_gamma 108.38935
_cell_volume 179.07714
_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
Al1 Al 0.87377 0.74732 0.88450 1.00000
Al2 Al 0.12623 0.25268 0.11550 1.00000
V1 V 0.53668 0.07427 0.86514 1.00000
V2 V 0.46332 0.92573 0.13486 1.00000
V3 V 0.78760 0.57533 0.13131 1.00000
V4 V 0.21240 0.42467 0.86869 1.00000
Mo1 Mo 0.29169 0.58377 0.62219 1.00000
Mo2 Mo 0.96207 0.92508 0.63286 1.00000
Mo3 Mo 0.62427 0.24942 0.62929 1.00000
Mo4 Mo 0.37573 0.75058 0.37071 1.00000
Mo5 Mo 0.03793 0.07492 0.36714 1.00000
Mo6 Mo 0.70831 0.41623 0.37781 1.00000
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