NaNd2US6
Alexandria ALEXAlex-ID: agm004959643 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Nd10S19 Nd2US5 Na3US4 US3
2022-07-27 09:58:52.245455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004959643).
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 agm004959643
data_agm004959643
_cell_length_a 7.08009
_cell_length_b 7.08050
_cell_length_c 7.46293
_cell_angle_alpha 61.68099
_cell_angle_beta 61.68077
_cell_angle_gamma 60.00187
_cell_volume 271.07046
_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
Na1 Na 0.80759 0.80762 0.57740 1.00000
Nd1 Nd 0.52550 0.52551 0.42344 1.00000
Nd2 Nd 0.01366 0.01363 0.95903 1.00000
U1 U 0.32383 0.32385 0.02847 1.00000
S1 S 0.58466 0.21449 0.24894 1.00000
S2 S 0.21452 0.95188 0.24892 1.00000
S3 S 0.95189 0.58466 0.24893 1.00000
S4 S 0.40572 0.70132 0.76002 1.00000
S5 S 0.70132 0.13297 0.76002 1.00000
S6 S 0.13291 0.40569 0.76004 1.00000
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