YV(PN3)2
Alexandria ALEXAlex-ID: agm017166098 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_307_spg15
YV(PN3)2
2025-03-29 17:24:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017166098).
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 agm017166098
data_agm017166098
_cell_length_a 6.53390
_cell_length_b 6.53390
_cell_length_c 5.27866
_cell_angle_alpha 78.09714
_cell_angle_beta 101.90286
_cell_angle_gamma 96.89476
_cell_volume 215.06122
_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
Y1 Y 0.18572 0.18572 0.25000 1.00000
Y2 Y 0.81428 0.81428 0.75000 1.00000
V1 V 0.61513 0.61513 0.25000 1.00000
V2 V 0.38487 0.38487 0.75000 1.00000
P1 P 0.86959 0.30444 0.71776 1.00000
P2 P 0.30444 0.86959 0.78224 1.00000
P3 P 0.13041 0.69556 0.28224 1.00000
P4 P 0.69556 0.13041 0.21776 1.00000
N1 N 0.61342 0.88133 0.30348 1.00000
N2 N 0.88133 0.61342 0.19652 1.00000
N3 N 0.38658 0.11867 0.69652 1.00000
N4 N 0.11867 0.38658 0.80348 1.00000
N5 N 0.86628 0.16499 0.48947 1.00000
N6 N 0.16499 0.86628 0.01053 1.00000
N7 N 0.13372 0.83501 0.51053 1.00000
N8 N 0.83501 0.13372 0.98947 1.00000
N9 N 0.52339 0.30308 0.12933 1.00000
N10 N 0.30308 0.52339 0.37067 1.00000
N11 N 0.47661 0.69692 0.87067 1.00000
N12 N 0.69692 0.47661 0.62933 1.00000
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