V8MoH6
Alexandria ALEXAlex-ID: agm071636769 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_72_spg148
V3H2 V2Mo3 VH
2024-10-06 09:43:37.603788
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071636769).
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 agm071636769
data_agm071636769
_cell_length_a 5.19908
_cell_length_b 5.19908
_cell_length_c 5.19908
_cell_angle_alpha 95.16211
_cell_angle_beta 95.16211
_cell_angle_gamma 95.16211
_cell_volume 138.71268
_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 0.31798 0.31798 0.31798 1.00000
V2 V 0.68202 0.68202 0.68202 1.00000
V3 V 0.09602 0.43959 0.78212 1.00000
V4 V 0.78212 0.09602 0.43959 1.00000
V5 V 0.43959 0.78212 0.09602 1.00000
V6 V 0.90398 0.56041 0.21788 1.00000
V7 V 0.21788 0.90398 0.56041 1.00000
V8 V 0.56041 0.21788 0.90398 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
H1 H 0.56764 0.47366 0.16599 1.00000
H2 H 0.16599 0.56764 0.47366 1.00000
H3 H 0.47366 0.16599 0.56764 1.00000
H4 H 0.43236 0.52634 0.83401 1.00000
H5 H 0.83401 0.43236 0.52634 1.00000
H6 H 0.52634 0.83401 0.43236 1.00000
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