NdS9
Alexandria ALEXAlex-ID: agm013078960 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_84_spg1
NdS2 NdS18
2024-09-13 13:07:16.491919
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013078960).
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 agm013078960
data_agm013078960
_cell_length_a 7.87132
_cell_length_b 8.55939
_cell_length_c 8.78153
_cell_angle_alpha 108.61588
_cell_angle_beta 94.21740
_cell_angle_gamma 93.84252
_cell_volume 556.60164
_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 0.21250 0.33722 0.07274 1.00000
Nd2 Nd 0.08422 0.01186 0.35338 1.00000
S1 S 0.34521 0.81414 0.45106 1.00000
S2 S 0.51486 0.50529 0.94189 1.00000
S3 S 0.08679 0.43022 0.76330 1.00000
S4 S 0.73643 0.39946 0.25422 1.00000
S5 S 0.12800 0.84139 0.82163 1.00000
S6 S 0.76867 0.86141 0.46956 1.00000
S7 S 0.46917 0.62758 0.75744 1.00000
S8 S 0.97244 0.32013 0.30733 1.00000
S9 S 0.15799 0.19247 0.71737 1.00000
S10 S 0.25972 0.72998 0.20723 1.00000
S11 S 0.05035 0.01712 0.01844 1.00000
S12 S 0.55341 0.99361 0.49748 1.00000
S13 S 0.67050 0.33735 0.83280 1.00000
S14 S 0.36005 0.28546 0.35692 1.00000
S15 S 0.91772 0.46694 0.93720 1.00000
S16 S 0.80592 0.79090 0.23045 1.00000
S17 S 0.40121 0.85438 0.85377 1.00000
S18 S 0.53412 0.21238 0.18509 1.00000
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