NpSn3Ru4
Alexandria ALEXAlex-ID: agm047385079 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
NpSnRu2 Sn7Ru3 Ru
2024-11-29 20:36:40.793776
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047385079).
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 agm047385079
data_agm047385079
_cell_length_a 7.31421
_cell_length_b 7.31421
_cell_length_c 7.31421
_cell_angle_alpha 143.09129
_cell_angle_beta 143.09129
_cell_angle_gamma 53.18833
_cell_volume 140.24215
_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 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.75108 0.75108 0.00000 1.00000
Sn3 Sn 0.24892 0.24892 0.00000 1.00000
Ru1 Ru 0.86992 0.36992 0.50000 1.00000
Ru2 Ru 0.13008 0.63008 0.50000 1.00000
Ru3 Ru 0.63008 0.13008 0.50000 1.00000
Ru4 Ru 0.36992 0.86992 0.50000 1.00000
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