Np5Sn3Ru
Alexandria ALEXAlex-ID: agm072589841 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_342_spg1
Np2Sn NpSnRu2 Sn7Ru3
2024-09-25 01:29:41.339834
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072589841).
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 agm072589841
data_agm072589841
_cell_length_a 5.39388
_cell_length_b 6.23684
_cell_length_c 6.48658
_cell_angle_alpha 107.06288
_cell_angle_beta 106.55071
_cell_angle_gamma 97.36262
_cell_volume 194.55445
_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 0.92601 0.93891 0.50901 1.00000
Np2 Np 0.54217 0.68456 0.54738 1.00000
Np3 Np 0.48314 0.23107 0.53640 1.00000
Np4 Np 0.93393 0.31021 0.78945 1.00000
Np5 Np 0.23062 0.83464 0.29818 1.00000
Sn1 Sn 0.43421 0.06590 0.96667 1.00000
Sn2 Sn 0.95153 0.38365 0.34104 1.00000
Sn3 Sn 0.56093 0.59209 0.01284 1.00000
Ru1 Ru 0.93745 0.95898 0.99903 1.00000
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