Np5Mn2H
Alexandria ALEXAlex-ID: agm006409331 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_416_spg63
Np Mn NpH3
2024-03-01 23:50:36.991831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006409331).
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 agm006409331
data_agm006409331
_cell_length_a 11.66520
_cell_length_b 4.46438
_cell_length_c 5.21753
_cell_angle_alpha 63.65157
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 243.48924
_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 0.12236 0.70859 0.09364 1.00000
Np2 Np 0.37764 0.70859 0.09364 1.00000
Np3 Np 0.60220 0.93390 0.61658 1.00000
Np4 Np 0.89780 0.93390 0.61658 1.00000
Np5 Np 0.75000 0.35913 0.26859 1.00000
Np6 Np 0.25000 0.64087 0.73141 1.00000
Np7 Np 0.39780 0.06610 0.38342 1.00000
Np8 Np 0.10220 0.06610 0.38342 1.00000
Np9 Np 0.87764 0.29141 0.90636 1.00000
Np10 Np 0.62236 0.29141 0.90636 1.00000
Mn1 Mn 0.55458 0.61758 0.26460 1.00000
Mn2 Mn 0.94542 0.61758 0.26460 1.00000
Mn3 Mn 0.44542 0.38242 0.73540 1.00000
Mn4 Mn 0.05458 0.38242 0.73540 1.00000
H1 H 0.25000 0.10421 0.08390 1.00000
H2 H 0.75000 0.89579 0.91610 1.00000
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