HoV(PN3)2
Alexandria ALEXAlex-ID: agm017187843 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_307_spg15
HoV(PN3)2
2024-12-03 12:59:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017187843).
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 agm017187843
data_agm017187843
_cell_length_a 6.51747
_cell_length_b 6.51747
_cell_length_c 5.26779
_cell_angle_alpha 78.06594
_cell_angle_beta 101.93406
_cell_angle_gamma 97.08642
_cell_volume 213.43336
_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
Ho1 Ho 0.18542 0.18542 0.25000 1.00000
Ho2 Ho 0.81458 0.81458 0.75000 1.00000
V1 V 0.61461 0.61461 0.25000 1.00000
V2 V 0.38539 0.38539 0.75000 1.00000
P1 P 0.87040 0.30444 0.71945 1.00000
P2 P 0.30444 0.87040 0.78055 1.00000
P3 P 0.12960 0.69556 0.28055 1.00000
P4 P 0.69556 0.12960 0.21945 1.00000
N1 N 0.61317 0.88013 0.30704 1.00000
N2 N 0.88013 0.61317 0.19296 1.00000
N3 N 0.38683 0.11987 0.69296 1.00000
N4 N 0.11987 0.38683 0.80704 1.00000
N5 N 0.86775 0.16502 0.49070 1.00000
N6 N 0.16502 0.86775 0.00930 1.00000
N7 N 0.13225 0.83498 0.50930 1.00000
N8 N 0.83498 0.13225 0.99070 1.00000
N9 N 0.52208 0.30128 0.13061 1.00000
N10 N 0.30128 0.52208 0.36939 1.00000
N11 N 0.47792 0.69872 0.86939 1.00000
N12 N 0.69872 0.47792 0.63061 1.00000
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