V5H2F2
Alexandria ALEXAlex-ID: agm007153198 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_427_spg12
V2H VF2
2024-03-26 01:42:31.498329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007153198).
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 agm007153198
data_agm007153198
_cell_length_a 3.07680
_cell_length_b 4.71181
_cell_length_c 10.75000
_cell_angle_alpha 104.62231
_cell_angle_beta 90.20421
_cell_angle_gamma 107.96548
_cell_volume 142.88351
_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 0.75458 0.51853 0.11929 1.00000
V2 V 0.24542 0.48147 0.88071 1.00000
V3 V 0.75068 0.49743 0.63851 1.00000
V4 V 0.24932 0.50257 0.36149 1.00000
V5 V 0.00000 0.00000 0.00000 1.00000
H1 H 0.85023 0.70161 0.82776 1.00000
H2 H 0.14977 0.29839 0.17224 1.00000
F1 F 0.64086 0.27094 0.43478 1.00000
F2 F 0.35914 0.72906 0.56522 1.00000
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