Np3(FeSn)4
Alexandria ALEXAlex-ID: agm010052593 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_34_spg12
NpFe Fe NpSn3
2024-03-25 13:57:52.942256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010052593).
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 agm010052593
data_agm010052593
_cell_length_a 4.42534
_cell_length_b 6.72388
_cell_length_c 7.55043
_cell_angle_alpha 92.61367
_cell_angle_beta 106.92947
_cell_angle_gamma 89.96870
_cell_volume 214.68788
_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 0.86779 0.15192 0.73524 1.00000
Np2 Np 0.13221 0.84808 0.26476 1.00000
Np3 Np 0.00000 0.50000 0.00000 1.00000
Fe1 Fe 0.60912 0.59464 0.21926 1.00000
Fe2 Fe 0.30129 0.05023 0.60485 1.00000
Fe3 Fe 0.39088 0.40536 0.78074 1.00000
Fe4 Fe 0.69871 0.94977 0.39515 1.00000
Sn1 Sn 0.79802 0.63889 0.59691 1.00000
Sn2 Sn 0.20198 0.36111 0.40309 1.00000
Sn3 Sn 0.55536 0.19190 0.11034 1.00000
Sn4 Sn 0.44464 0.80810 0.88966 1.00000
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