NpAl2NiH8
Alexandria ALEXAlex-ID: agm007461295 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1020_spg12
AlH9 AlH3 Al4Ni3 NpH3
2024-10-22 02:00:53.953393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007461295).
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
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# CIF generated by HEAS from Alexandria entry agm007461295
data_agm007461295
_cell_length_a 4.00354
_cell_length_b 4.00354
_cell_length_c 9.65627
_cell_angle_alpha 52.67212
_cell_angle_beta 52.67212
_cell_angle_gamma 59.86959
_cell_volume 95.63256
_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 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.48901 0.48901 0.16777 1.00000
Al2 Al 0.51099 0.51099 0.83223 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
H1 H 0.87410 0.87410 0.64455 1.00000
H2 H 0.72982 0.72982 0.20296 1.00000
H3 H 0.12590 0.12590 0.35545 1.00000
H4 H 0.27018 0.27018 0.79704 1.00000
H5 H 0.12239 0.65375 0.35912 1.00000
H6 H 0.87761 0.34625 0.64088 1.00000
H7 H 0.65375 0.12239 0.35912 1.00000
H8 H 0.34625 0.87761 0.64088 1.00000
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