Cs3Ce(NdS3)2
Alexandria ALEXAlex-ID: agm044793396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
CsCeS2 CsNdS2
2025-01-22 01:02:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044793396).
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
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# CIF generated by HEAS from Alexandria entry agm044793396
data_agm044793396
_cell_length_a 10.37712
_cell_length_b 10.37712
_cell_length_c 9.46046
_cell_angle_alpha 69.06220
_cell_angle_beta 110.93780
_cell_angle_gamma 156.30385
_cell_volume 381.15163
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
Cs2 Cs 0.16707 0.83293 0.83351 1.00000
Cs3 Cs 0.83293 0.16707 0.16649 1.00000
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Nd1 Nd 0.16719 0.83281 0.33423 1.00000
Nd2 Nd 0.83281 0.16719 0.66577 1.00000
S1 S 0.65235 0.34765 0.11917 1.00000
S2 S 0.31931 0.68069 0.45121 1.00000
S3 S 0.34765 0.65235 0.88083 1.00000
S4 S 0.98556 0.01444 0.78626 1.00000
S5 S 0.01444 0.98556 0.21374 1.00000
S6 S 0.68069 0.31931 0.54879 1.00000
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