V6P2N
Alexandria ALEXAlex-ID: agm005774464 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1997_spg12
V2P V2N
2023-07-08 23:46:20.099537
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774464).
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 agm005774464
data_agm005774464
_cell_length_a 3.11167
_cell_length_b 5.07937
_cell_length_c 7.17551
_cell_angle_alpha 90.50355
_cell_angle_beta 90.00000
_cell_angle_gamma 107.83666
_cell_volume 107.95538
_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 0.87264 0.74528 0.45123 1.00000
V2 V 0.12736 0.25472 0.54877 1.00000
V3 V 0.85418 0.70837 0.06181 1.00000
V4 V 0.14582 0.29163 0.93819 1.00000
V5 V 0.54299 0.08597 0.22155 1.00000
V6 V 0.45701 0.91403 0.77845 1.00000
P1 P 0.24029 0.48058 0.25372 1.00000
P2 P 0.75971 0.51942 0.74628 1.00000
N1 N 0.50000 0.00000 0.50000 1.00000
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