V3NiP2
Alexandria ALEXAlex-ID: agm005234554 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_222_spg6
V5(NiP)4 V2P V12P7
2023-05-07 20:00:17.255627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005234554).
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 agm005234554
data_agm005234554
_cell_length_a 3.32541
_cell_length_b 6.16423
_cell_length_c 10.72551
_cell_angle_alpha 89.79080
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 219.85635
_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 0.00000 0.12918 0.12632 1.00000
V2 V 0.00000 0.12561 0.87108 1.00000
V3 V 0.00000 0.62665 0.37863 1.00000
V4 V 0.50000 0.39462 0.99664 1.00000
V5 V 0.50000 0.89427 0.49968 1.00000
V6 V 0.50000 0.80720 0.79128 1.00000
V7 V 0.50000 0.31067 0.29137 1.00000
V8 V 0.50000 0.29486 0.70683 1.00000
V9 V 0.50000 0.80667 0.21416 1.00000
Ni1 Ni 0.00000 0.73980 0.99806 1.00000
Ni2 Ni 0.00000 0.23984 0.49709 1.00000
Ni3 Ni 0.00000 0.63382 0.62744 1.00000
P1 P 0.00000 0.00260 0.66017 1.00000
P2 P 0.00000 0.51021 0.16219 1.00000
P3 P 0.00000 0.50893 0.82968 1.00000
P4 P 0.00000 0.00951 0.33761 1.00000
P5 P 0.50000 0.97946 0.99930 1.00000
P6 P 0.50000 0.48631 0.51247 1.00000
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