Rb(Nd3S4)2
Alexandria ALEXAlex-ID: agm003697643 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_72_spg148
Nd5S6 RbNdS2
2022-04-13 15:05:19.027051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003697643).
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 agm003697643
data_agm003697643
_cell_length_a 8.13156
_cell_length_b 8.13156
_cell_length_c 8.13156
_cell_angle_alpha 94.58555
_cell_angle_beta 94.58555
_cell_angle_gamma 94.58555
_cell_volume 532.21925
_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 0.62550 0.43438 0.80945 1.00000
Nd2 Nd 0.43438 0.80945 0.62550 1.00000
Nd3 Nd 0.80945 0.62550 0.43438 1.00000
Nd4 Nd 0.37450 0.56562 0.19055 1.00000
Nd5 Nd 0.56562 0.19055 0.37450 1.00000
Nd6 Nd 0.19055 0.37450 0.56562 1.00000
S1 S 0.74948 0.74948 0.74948 1.00000
S2 S 0.25052 0.25052 0.25052 1.00000
S3 S 0.58638 0.85013 0.32121 1.00000
S4 S 0.85013 0.32121 0.58638 1.00000
S5 S 0.32121 0.58638 0.85013 1.00000
S6 S 0.41362 0.14987 0.67879 1.00000
S7 S 0.14987 0.67879 0.41362 1.00000
S8 S 0.67879 0.41362 0.14987 1.00000
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