VCoH2
Alexandria ALEXAlex-ID: agm005734026 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_59_spg15
VCo3H VCo4H5 VH2
2023-07-09 23:01:55.600823
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005734026).
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 agm005734026
data_agm005734026
_cell_length_a 4.65541
_cell_length_b 4.59877
_cell_length_c 6.01508
_cell_angle_alpha 104.91589
_cell_angle_beta 105.28550
_cell_angle_gamma 108.82491
_cell_volume 108.99293
_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 0.56181 0.81181 0.62361 1.00000
V2 V 0.69029 0.44029 0.88059 1.00000
V3 V 0.30971 0.55971 0.11941 1.00000
V4 V 0.43819 0.18819 0.37639 1.00000
Co1 Co 0.19012 0.94012 0.88024 1.00000
Co2 Co 0.93403 0.68403 0.36805 1.00000
Co3 Co 0.06597 0.31597 0.63195 1.00000
Co4 Co 0.80988 0.05988 0.11976 1.00000
H1 H 0.16981 0.43372 0.37381 1.00000
H2 H 0.57538 0.31342 0.12942 1.00000
H3 H 0.05403 0.81599 0.12942 1.00000
H4 H 0.29600 0.05990 0.62619 1.00000
H5 H 0.70400 0.94010 0.37381 1.00000
H6 H 0.94597 0.18401 0.87058 1.00000
H7 H 0.42462 0.68658 0.87058 1.00000
H8 H 0.83019 0.56628 0.62619 1.00000
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