VCo3H4
Alexandria ALEXAlex-ID: agm006016540 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_401_spg121
VCo3H VCo4H5 VH2
2023-07-10 09:36:08.731198
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006016540).
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 agm006016540
data_agm006016540
_cell_length_a 3.73254
_cell_length_b 3.73254
_cell_length_c 4.55348
_cell_angle_alpha 114.16665
_cell_angle_beta 114.16709
_cell_angle_gamma 90.06168
_cell_volume 51.71017
_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 0.00001 0.00001 0.00002 1.00000
Co1 Co 0.50001 0.50001 0.00002 1.00000
Co2 Co 0.74999 0.24999 0.49998 1.00000
Co3 Co 0.24999 0.74999 0.49998 1.00000
H1 H 0.99999 0.49999 0.99999 1.00000
H2 H 0.49999 0.99999 0.99999 1.00000
H3 H 0.26437 0.26437 0.52875 1.00000
H4 H 0.73565 0.73564 0.47129 1.00000
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