SiNiAsP2
Alexandria ALEXAlex-ID: agm002022845 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_890_spg1
Si3NiP4 SiAs2 SiNi NiP2
2021-11-15 23:03:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002022845).
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 agm002022845
data_agm002022845
_cell_length_a 4.32925
_cell_length_b 4.64866
_cell_length_c 4.88123
_cell_angle_alpha 78.68696
_cell_angle_beta 68.81630
_cell_angle_gamma 82.71188
_cell_volume 89.64952
_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 0.34291 0.75921 0.64438 1.00000
As1 As 0.89439 0.54822 0.54740 1.00000
Si1 Si 0.21282 0.41499 0.05938 1.00000
P1 P 0.99756 0.10498 0.86440 1.00000
P2 P 0.54326 0.08091 0.24309 1.00000
