VCo2H7
Alexandria ALEXAlex-ID: agm006207136 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1157_spg1
VCo4H5 VH2 H2
2024-02-01 14:48:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207136).
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 agm006207136
data_agm006207136
_cell_length_a 4.33560
_cell_length_b 4.33537
_cell_length_c 6.51242
_cell_angle_alpha 129.71905
_cell_angle_beta 50.69710
_cell_angle_gamma 119.99790
_cell_volume 71.92104
_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
H1 H 0.42849 0.61872 0.22470 1.00000
H2 H 0.72211 0.97264 0.79024 1.00000
H3 H 0.45234 0.34379 0.78965 1.00000
H4 H 0.81333 0.23921 0.22471 1.00000
H5 H 0.70156 0.73246 0.39636 1.00000
H6 H 0.19298 0.00343 0.22467 1.00000
H7 H 0.08070 0.70269 0.78959 1.00000
Co1 Co 0.28842 0.13982 0.99655 1.00000
Co2 Co 0.61787 0.81049 0.00281 1.00000
V1 V 0.93460 0.49414 0.02889 1.00000
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