Rb(Nd2S3)2
Alexandria ALEXAlex-ID: agm003661927 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Nd5S6 RbNdS2 Nd2S3
2022-04-08 13:31:04.645229
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661927).
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 agm003661927
data_agm003661927
_cell_length_a 7.44141
_cell_length_b 7.44141
_cell_length_c 7.44141
_cell_angle_alpha 97.79750
_cell_angle_beta 115.60496
_cell_angle_gamma 115.60496
_cell_volume 307.63979
_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
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.00000 0.19745 0.58609 1.00000
Nd2 Nd 0.61136 0.41391 0.41391 1.00000
Nd3 Nd 0.00000 0.58609 0.19745 1.00000
Nd4 Nd 0.38864 0.80255 0.80255 1.00000
S1 S 1.00000 0.82704 0.53490 1.00000
S2 S 1.00000 0.53490 0.82704 1.00000
S3 S 0.70786 0.17296 0.17296 1.00000
S4 S 0.50000 0.00000 0.50000 1.00000
S5 S 0.29214 0.46510 0.46510 1.00000
S6 S 0.50000 0.50000 0.00000 1.00000
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