Np5(FeH)2
Alexandria ALEXAlex-ID: agm007123499 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_239_spg12
NpFe Np NpH3
2024-03-15 18:47:38.016366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007123499).
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 agm007123499
data_agm007123499
_cell_length_a 5.18110
_cell_length_b 5.35603
_cell_length_c 5.45467
_cell_angle_alpha 84.92508
_cell_angle_beta 122.72043
_cell_angle_gamma 102.86592
_cell_volume 124.05736
_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 0.78342 0.61478 0.60155 1.00000
Np2 Np 0.21658 0.38522 0.39845 1.00000
Np3 Np 0.60375 0.79651 0.11797 1.00000
Np4 Np 0.39625 0.20349 0.88203 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.27256 0.84471 0.47513 1.00000
Fe2 Fe 0.72744 0.15529 0.52487 1.00000
H1 H 0.80470 0.51132 0.01290 1.00000
H2 H 0.19530 0.48868 0.98710 1.00000
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