VH3
Alexandria ALEXAlex-ID: agm079302123 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5675_spg42
VH2 H2
2025-05-26 21:54:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079302123).
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 agm079302123
data_agm079302123
_cell_length_a 4.93824
_cell_length_b 4.90690
_cell_length_c 4.77405
_cell_angle_alpha 105.10813
_cell_angle_beta 117.98576
_cell_angle_gamma 106.20213
_cell_volume 87.01255
_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 0.14756 0.69605 0.13919 1.00000
V2 V 0.44771 0.35228 0.43700 1.00000
V3 V 0.63982 0.02213 0.96072 1.00000
V4 V 0.95692 0.99707 0.60284 1.00000
H1 H 0.42501 0.59064 0.77193 1.00000
H2 H 0.25757 0.38372 0.00236 1.00000
H3 H 0.90446 0.64468 0.32533 1.00000
H4 H 0.29612 0.01495 0.00903 1.00000
H5 H 0.01693 0.00514 0.23287 1.00000
H6 H 0.71828 0.38249 0.87302 1.00000
H7 H 0.55333 0.77935 0.15137 1.00000
H8 H 0.55744 0.79055 0.54063 1.00000
H9 H 0.33171 0.04545 0.58379 1.00000
H10 H 0.06324 0.40115 0.28231 1.00000
H11 H 0.90034 0.64434 0.66953 1.00000
H12 H 0.78357 0.25002 0.41809 1.00000
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