Np8P5S3
Alexandria ALEXAlex-ID: agm009059782 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8_3_spg166
Np3P2S Np2PS
2024-04-10 12:30:42.810309
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009059782).
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 agm009059782
data_agm009059782
_cell_length_a 7.89840
_cell_length_b 7.89840
_cell_length_c 7.89840
_cell_angle_alpha 60.11687
_cell_angle_beta 60.11687
_cell_angle_gamma 60.11687
_cell_volume 349.34259
_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 0.25001 0.25001 0.74978 1.00000
Np2 Np 0.74978 0.25001 0.25001 1.00000
Np3 Np 0.25001 0.74978 0.25001 1.00000
Np4 Np 0.74982 0.74982 0.74982 1.00000
Np5 Np 0.74999 0.74999 0.25022 1.00000
Np6 Np 0.25022 0.74999 0.74999 1.00000
Np7 Np 0.74999 0.25022 0.74999 1.00000
Np8 Np 0.25018 0.25018 0.25018 1.00000
P1 P 0.00000 0.50000 0.50000 1.00000
P2 P 0.50000 0.50000 0.00000 1.00000
P3 P 0.00000 0.00000 0.00000 1.00000
P4 P 0.50000 0.00000 0.50000 1.00000
P5 P 0.50000 0.50000 0.50000 1.00000
S1 S 0.00000 0.50000 0.00000 1.00000
S2 S 0.00000 0.00000 0.50000 1.00000
S3 S 0.50000 0.00000 0.00000 1.00000
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