VH3
Alexandria ALEXAlex-ID: agm070909093 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_6213_spg6
VH2 H2
2025-05-26 22:04:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070909093).
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 agm070909093
data_agm070909093
_cell_length_a 2.94757
_cell_length_b 5.25948
_cell_length_c 11.36358
_cell_angle_alpha 95.64332
_cell_angle_beta 89.99981
_cell_angle_gamma 90.00000
_cell_volume 175.31212
_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 0.96873 0.14710 0.99988 1.00000
V2 V 0.46873 0.65613 0.00659 1.00000
V3 V 0.46875 0.43795 0.53478 1.00000
V4 V 0.96875 0.94514 0.53279 1.00000
V5 V 0.96874 0.66776 0.75087 1.00000
V6 V 0.46873 0.36275 0.21707 1.00000
V7 V 0.46875 0.16338 0.73467 1.00000
V8 V 0.96872 0.87493 0.21780 1.00000
H1 H 0.96874 0.46422 0.96527 1.00000
H2 H 0.96874 0.79377 0.06817 1.00000
H3 H 0.96876 0.29130 0.46874 1.00000
H4 H 0.46877 0.91646 0.62386 1.00000
H5 H 0.46876 0.18392 0.89902 1.00000
H6 H 0.46878 0.74895 0.47264 1.00000
H7 H 0.96875 0.80326 0.92183 1.00000
H8 H 0.96880 0.21773 0.63322 1.00000
H9 H 0.46877 0.10651 0.47342 1.00000
H10 H 0.46875 0.33654 0.05869 1.00000
H11 H 0.46874 0.98497 0.03716 1.00000
H12 H 0.96878 0.87838 0.37487 1.00000
H13 H 0.96877 0.01769 0.79263 1.00000
H14 H 0.46876 0.42997 0.37618 1.00000
H15 H 0.46878 0.49538 0.68892 1.00000
H16 H 0.96872 0.55667 0.27039 1.00000
H17 H 0.46872 0.68489 0.17108 1.00000
H18 H 0.46877 0.57454 0.84305 1.00000
H19 H 0.96876 0.34776 0.78869 1.00000
H20 H 0.96874 0.18453 0.15125 1.00000
H21 H 0.46876 0.85282 0.77505 1.00000
H22 H 0.96876 0.63001 0.58547 1.00000
H23 H 0.46872 0.03375 0.27324 1.00000
H24 H 0.96873 0.21081 0.29271 1.00000
