Np6As5P
Alexandria ALEXAlex-ID: agm032407976 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
NpAs NpP
2025-03-12 23:35:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032407976).
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 agm032407976
data_agm032407976
_cell_length_a 9.10496
_cell_length_b 9.10496
_cell_length_c 8.22908
_cell_angle_alpha 77.23694
_cell_angle_beta 102.76306
_cell_angle_gamma 154.35575
_cell_volume 287.56298
_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 0.33741 0.66259 0.41974 1.00000
Np2 Np 0.66719 0.33281 0.08263 1.00000
Np3 Np 0.66259 0.33741 0.58026 1.00000
Np4 Np 0.99848 0.00152 0.74088 1.00000
Np5 Np 0.00152 0.99848 0.25912 1.00000
Np6 Np 0.33281 0.66719 0.91737 1.00000
As1 As 0.83443 0.16557 0.16802 1.00000
As2 As 0.16557 0.83443 0.83198 1.00000
As3 As 0.50000 0.50000 0.00000 1.00000
As4 As 0.83109 0.16891 0.66638 1.00000
As5 As 0.16891 0.83109 0.33362 1.00000
P1 P 0.50000 0.50000 0.50000 1.00000
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