Sm2Np3Au2
Alexandria ALEXAlex-ID: agm011852544 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_14_spg164
Np SmAu
2024-06-01 18:17:52.973114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011852544).
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 agm011852544
data_agm011852544
_cell_length_a 11.56995
_cell_length_b 11.56995
_cell_length_c 4.72684
_cell_angle_alpha 78.24364
_cell_angle_beta 78.24364
_cell_angle_gamma 16.55115
_cell_volume 176.39112
_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 0.29184 0.29184 0.20815 1.00000
Sm2 Sm 0.70816 0.70816 0.79185 1.00000
Np1 Np 0.12090 0.12090 0.37900 1.00000
Np2 Np 0.00000 0.00000 0.50000 1.00000
Np3 Np 0.87910 0.87910 0.62100 1.00000
Au1 Au 0.43411 0.43411 0.06597 1.00000
Au2 Au 0.56589 0.56589 0.93403 1.00000
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