NpMnAl
Alexandria ALEXAlex-ID: agm005679256 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2836_spg8
NpMnAl2 Mn2Al Np
2023-06-16 22:03:29.530512
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679256).
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 agm005679256
data_agm005679256
_cell_length_a 8.09512
_cell_length_b 3.89644
_cell_length_c 6.06906
_cell_angle_alpha 90.00022
_cell_angle_beta 108.18189
_cell_angle_gamma 90.00004
_cell_volume 181.87322
_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 0.83365 0.49999 0.37437 1.00000
Np2 Np 0.16635 0.50001 0.62563 1.00000
Np3 Np 0.33362 0.00001 0.87441 1.00000
Np4 Np 0.66638 0.99999 0.12559 1.00000
Mn1 Mn 0.99550 0.00000 0.19735 1.00000
Mn2 Mn 0.49550 0.50000 0.69734 1.00000
Mn3 Mn 0.00450 1.00000 0.80265 1.00000
Mn4 Mn 0.50450 0.50000 0.30266 1.00000
Al1 Al 0.83495 0.49999 0.88902 1.00000
Al2 Al 0.16505 0.50001 0.11098 1.00000
Al3 Al 0.66506 0.99999 0.61092 1.00000
Al4 Al 0.33494 0.00001 0.38908 1.00000
Get direct link