Np6As4P
Alexandria ALEXAlex-ID: agm006062002 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_35_spg167
Np2P NpAs
2023-10-07 14:49:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006062002).
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 agm006062002
data_agm006062002
_cell_length_a 8.01331
_cell_length_b 8.01331
_cell_length_c 8.01331
_cell_angle_alpha 91.78238
_cell_angle_beta 91.78238
_cell_angle_gamma 88.21762
_cell_volume 513.82737
_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 0.67369 0.05803 0.07126 1.00000
Np2 Np 0.07126 0.32631 0.05803 1.00000
Np3 Np 0.57126 0.44197 0.17369 1.00000
Np4 Np 0.94197 0.07126 0.67369 1.00000
Np5 Np 0.55803 0.17369 0.57126 1.00000
Np6 Np 0.17369 0.42874 0.44197 1.00000
Np7 Np 0.82631 0.57126 0.55803 1.00000
Np8 Np 0.44197 0.82631 0.42874 1.00000
Np9 Np 0.05803 0.92874 0.32631 1.00000
Np10 Np 0.42874 0.55803 0.82631 1.00000
Np11 Np 0.92874 0.67369 0.94197 1.00000
Np12 Np 0.32631 0.94197 0.92874 1.00000
As1 As 0.35285 0.14715 0.25000 1.00000
As2 As 0.85285 0.25000 0.35285 1.00000
As3 As 0.25000 0.64715 0.14715 1.00000
As4 As 0.25000 0.25000 0.75000 1.00000
As5 As 0.75000 0.75000 0.25000 1.00000
As6 As 0.75000 0.35285 0.85285 1.00000
As7 As 0.14715 0.75000 0.64715 1.00000
As8 As 0.64715 0.85285 0.75000 1.00000
P1 P 0.50000 0.50000 0.50000 1.00000
P2 P 0.00000 0.00000 0.00000 1.00000
