Np4SiP
Alexandria ALEXAlex-ID: agm005939072 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_467_spg44
Np2P Np2Si
2023-07-31 08:51:11.939897
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005939072).
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 agm005939072
data_agm005939072
_cell_length_a 3.51721
_cell_length_b 6.40559
_cell_length_c 6.40559
_cell_angle_alpha 119.40327
_cell_angle_beta 74.06525
_cell_angle_gamma 74.06526
_cell_volume 105.48019
_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 0.75179 0.57329 0.92307 1.00000
Np2 Np 0.75179 0.92307 0.57329 1.00000
Np3 Np 0.24815 0.42671 0.07693 1.00000
Np4 Np 0.24815 0.07693 0.42671 1.00000
Si1 Si 0.99997 0.00000 0.00000 1.00000
P1 P 0.49997 0.50000 0.50000 1.00000
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