Nd8SbRu4
Alexandria ALEXAlex-ID: agm098092927 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1201_spg6
Nd5Sb2Ru Nd7Ru3 NdRu2
2025-06-18 09:11:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098092927).
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 agm098092927
data_agm098092927
_cell_length_a 4.53399
_cell_length_b 10.21971
_cell_length_c 9.36052
_cell_angle_alpha 55.37592
_cell_angle_beta 90.00076
_cell_angle_gamma 89.99860
_cell_volume 356.91488
_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 0.30770 0.07143 0.37880 1.00000
Nd2 Nd 0.30770 0.75493 0.04026 1.00000
Nd3 Nd 0.30770 0.57360 0.61692 1.00000
Nd4 Nd 0.30763 0.20748 0.65473 1.00000
Nd5 Nd 0.80778 0.81849 0.29488 1.00000
Nd6 Nd 0.80771 0.42400 0.25679 1.00000
Nd7 Nd 0.80777 0.31409 0.94719 1.00000
Nd8 Nd 0.80771 0.75572 0.76145 1.00000
Sb1 Sb 0.30778 0.05568 0.05241 1.00000
Ru1 Ru 0.80760 0.97394 0.89840 1.00000
Ru2 Ru 0.30767 0.50983 0.97706 1.00000
Ru3 Ru 0.80760 0.44218 0.57263 1.00000
Ru4 Ru 0.80764 0.09862 0.54848 1.00000
Get direct link