V8ZnMo6
Alexandria ALEXAlex-ID: agm072376451 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_45_spg148
V4Mo3 VZn3 VMo
2024-10-08 11:02:52.344671
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072376451).
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 agm072376451
data_agm072376451
_cell_length_a 6.68999
_cell_length_b 6.68999
_cell_length_c 6.68999
_cell_angle_alpha 62.79205
_cell_angle_beta 62.79205
_cell_angle_gamma 62.79205
_cell_volume 224.86377
_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 0.24807 0.24807 0.24807 1.00000
V2 V 0.75193 0.75193 0.75193 1.00000
V3 V 0.88412 0.12339 0.37849 1.00000
V4 V 0.37849 0.88412 0.12339 1.00000
V5 V 0.12339 0.37849 0.88412 1.00000
V6 V 0.11588 0.87661 0.62151 1.00000
V7 V 0.62151 0.11588 0.87661 1.00000
V8 V 0.87661 0.62151 0.11588 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.13860 0.62164 0.38405 1.00000
Mo2 Mo 0.38405 0.13860 0.62164 1.00000
Mo3 Mo 0.62164 0.38405 0.13860 1.00000
Mo4 Mo 0.86140 0.37836 0.61595 1.00000
Mo5 Mo 0.61595 0.86140 0.37836 1.00000
Mo6 Mo 0.37836 0.61595 0.86140 1.00000
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