Ni2As3
Alexandria ALEXAlex-ID: agm005508342 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_294_spg43
NiAs2 Ni11As8
2023-03-20 12:30:48.267786
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508342).
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 agm005508342
data_agm005508342
_cell_length_a 9.27521
_cell_length_b 7.65279
_cell_length_c 5.92069
_cell_angle_alpha 85.19525
_cell_angle_beta 55.30370
_cell_angle_gamma 39.50105
_cell_volume 161.21579
_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 0.22736 0.86476 0.41464 1.00000
Ni2 Ni 0.49324 0.41464 0.86476 1.00000
Ni3 Ni 0.38524 0.02264 0.75676 1.00000
Ni4 Ni 0.83536 0.75676 0.02264 1.00000
As1 As 0.72040 0.56260 0.22306 1.00000
As2 As 0.49393 0.22306 0.56260 1.00000
As3 As 0.68740 0.52960 0.75607 1.00000
As4 As 0.02694 0.75607 0.52960 1.00000
As5 As 0.06506 0.93494 0.93494 1.00000
As6 As 0.31506 0.18494 0.18494 1.00000
Get direct link