Sm2Hf2Np5
Alexandria ALEXAlex-ID: agm009686454 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1260_spg12
Sm Hf Np
2024-03-08 05:44:00.683759
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009686454).
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 agm009686454
data_agm009686454
_cell_length_a 3.48246
_cell_length_b 5.97108
_cell_length_c 10.70529
_cell_angle_alpha 104.74717
_cell_angle_beta 84.71186
_cell_angle_gamma 91.40871
_cell_volume 214.35719
_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
Sm1 Sm 0.25112 0.75839 0.51442 1.00000
Sm2 Sm 0.74888 0.24161 0.48558 1.00000
Hf1 Hf 0.69978 0.06285 0.77610 1.00000
Hf2 Hf 0.30022 0.93715 0.22390 1.00000
Np1 Np 0.76977 0.46079 0.22343 1.00000
Np2 Np 0.23023 0.53921 0.77657 1.00000
Np3 Np 0.68767 0.62542 0.93921 1.00000
Np4 Np 0.31233 0.37458 0.06079 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
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