Nd3Re3Si8
Alexandria ALEXAlex-ID: agm003375853 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_34_spg71
Nd3Si4 Nd2Re3Si5 Re4Si7
2022-02-09 00:24:12.521745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003375853).
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 agm003375853
data_agm003375853
_cell_length_a 4.20897
_cell_length_b 8.03875
_cell_length_c 8.03875
_cell_angle_alpha 76.12771
_cell_angle_beta 74.82354
_cell_angle_gamma 74.82354
_cell_volume 249.03220
_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
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.81574 0.18426 0.18426 1.00000
Nd3 Nd 0.18426 0.81574 0.81574 1.00000
Re1 Re 0.50000 0.00000 0.00000 1.00000
Re2 Re 0.00000 0.77345 0.22655 1.00000
Re3 Re 0.00000 0.22655 0.77345 1.00000
Si1 Si 0.62000 0.08925 0.67075 1.00000
Si2 Si 0.38000 0.91075 0.32925 1.00000
Si3 Si 0.62000 0.67075 0.08925 1.00000
Si4 Si 0.38000 0.32925 0.91075 1.00000
Si5 Si 0.83332 0.80149 0.53187 1.00000
Si6 Si 0.16668 0.19851 0.46813 1.00000
Si7 Si 0.83332 0.53187 0.80149 1.00000
Si8 Si 0.16668 0.46813 0.19851 1.00000
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