PmVN2
Alexandria ALEXAlex-ID: agm005803737 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7796_spg14
VN PmN
2023-07-13 03:44:20.401250
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803737).
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 agm005803737
data_agm005803737
_cell_length_a 5.45007
_cell_length_b 6.11146
_cell_length_c 6.28129
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.18623
_cell_volume 201.91045
_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
Pm1 Pm 0.80986 0.17302 0.41531 1.00000
Pm2 Pm 0.69014 0.82698 0.91531 1.00000
Pm3 Pm 0.19014 0.82698 0.58469 1.00000
Pm4 Pm 0.30986 0.17302 0.08469 1.00000
V1 V 0.64492 0.62770 0.34231 1.00000
V2 V 0.85508 0.37230 0.84231 1.00000
V3 V 0.35508 0.37230 0.65769 1.00000
V4 V 0.14492 0.62770 0.15769 1.00000
N1 N 0.97104 0.86637 0.24622 1.00000
N2 N 0.52896 0.13363 0.74622 1.00000
N3 N 0.02896 0.13363 0.75378 1.00000
N4 N 0.47104 0.86637 0.25378 1.00000
N5 N 0.24328 0.45302 0.38107 1.00000
N6 N 0.25672 0.54698 0.88107 1.00000
N7 N 0.75672 0.54698 0.61893 1.00000
N8 N 0.74328 0.45302 0.11893 1.00000
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