NiP4
Alexandria ALEXAlex-ID: agm005290810 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_27_spg15
NiP3 P
2023-05-08 13:58:29.084634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290810).
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 agm005290810
data_agm005290810
_cell_length_a 5.91905
_cell_length_b 5.91905
_cell_length_c 11.32671
_cell_angle_alpha 88.58704
_cell_angle_beta 88.58704
_cell_angle_gamma 127.73021
_cell_volume 313.36359
_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
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
Ni2 Ni 0.08016 0.91984 0.25000 1.00000
Ni3 Ni 0.00000 0.50000 0.50000 1.00000
Ni4 Ni 0.91984 0.08016 0.75000 1.00000
P1 P 0.45169 0.93492 0.78882 1.00000
P2 P 0.62695 0.76548 0.28570 1.00000
P3 P 0.46318 0.66567 0.47654 1.00000
P4 P 0.13593 0.95257 0.45340 1.00000
P5 P 0.04743 0.86407 0.04660 1.00000
P6 P 0.33433 0.53682 0.02346 1.00000
P7 P 0.06508 0.54831 0.71118 1.00000
P8 P 0.23452 0.37305 0.21430 1.00000
P9 P 0.76548 0.62695 0.78570 1.00000
P10 P 0.93492 0.45169 0.28882 1.00000
P11 P 0.66567 0.46318 0.97654 1.00000
P12 P 0.95257 0.13593 0.95340 1.00000
P13 P 0.86407 0.04743 0.54660 1.00000
P14 P 0.53682 0.33433 0.52346 1.00000
P15 P 0.37305 0.23452 0.71430 1.00000
P16 P 0.54831 0.06508 0.21118 1.00000
Get direct link