V13H2
Alexandria ALEXAlex-ID: agm003285802 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B13_84_spg2
V2H V
2022-01-14 12:36:18.614261
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003285802).
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 agm003285802
data_agm003285802
_cell_length_a 5.03405
_cell_length_b 6.77617
_cell_length_c 6.59005
_cell_angle_alpha 120.62204
_cell_angle_beta 102.20218
_cell_angle_gamma 98.18216
_cell_volume 180.53395
_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 0.76685 0.61342 0.07564 1.00000
V2 V 0.23315 0.38658 0.92436 1.00000
V3 V 0.00000 0.00000 0.00000 1.00000
V4 V 0.16871 0.91997 0.61155 1.00000
V5 V 0.83129 0.08003 0.38845 1.00000
V6 V 0.92532 0.53837 0.69408 1.00000
V7 V 0.07468 0.46163 0.30592 1.00000
V8 V 0.60641 0.67841 0.45036 1.00000
V9 V 0.39359 0.32159 0.54964 1.00000
V10 V 0.46246 0.76952 0.84804 1.00000
V11 V 0.53754 0.23048 0.15196 1.00000
V12 V 0.68233 0.16640 0.77239 1.00000
V13 V 0.31767 0.83360 0.22761 1.00000
H1 H 0.86714 0.95151 0.70310 1.00000
H2 H 0.13286 0.04849 0.29690 1.00000
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