Np6MnFe2H
Alexandria ALEXAlex-ID: agm007255876 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_476_spg1
NpFe NpH3 Np Mn
2024-04-17 23:13:34.393075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007255876).
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 agm007255876
data_agm007255876
_cell_length_a 4.96761
_cell_length_b 4.61208
_cell_length_c 8.94952
_cell_angle_alpha 93.49330
_cell_angle_beta 125.31630
_cell_angle_gamma 105.58405
_cell_volume 154.93951
_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 0.41620 0.34370 0.42829 1.00000
Np2 Np 0.39887 0.72837 0.24095 1.00000
Np3 Np 0.06226 0.82366 0.40031 1.00000
Np4 Np 0.05787 0.00839 0.79832 1.00000
Np5 Np 0.90201 0.20270 0.99046 1.00000
Np6 Np 0.64600 0.50226 0.76095 1.00000
Mn1 Mn 0.03636 0.36815 0.60018 1.00000
Fe1 Fe 0.65977 0.20345 0.21931 1.00000
Fe2 Fe 0.42543 0.65935 0.96731 1.00000
H1 H 0.84261 0.72851 0.06021 1.00000
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