Np2Ni3As4
Alexandria ALEXAlex-ID: agm003335239 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_280_spg69
Np(NiAs)2 NpNiAs2
2022-01-29 23:07:22.595993
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003335239).
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 agm003335239
data_agm003335239
_cell_length_a 5.57942
_cell_length_b 5.57942
_cell_length_c 6.46664
_cell_angle_alpha 101.62940
_cell_angle_beta 101.62940
_cell_angle_gamma 122.19009
_cell_volume 154.83996
_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
Np1 Np 0.63648 0.63648 0.27295 1.00000
Np2 Np 0.36352 0.36352 0.72705 1.00000
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
Ni3 Ni 0.00000 0.50000 0.00000 1.00000
As1 As 0.00870 0.69026 0.69897 1.00000
As2 As 0.69026 0.00870 0.69897 1.00000
As3 As 0.99130 0.30974 0.30103 1.00000
As4 As 0.30974 0.99130 0.30103 1.00000
Get direct link