Na2Ce(YS2)3
Alexandria ALEXAlex-ID: agm032706367 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Ce2YS3 NaYS2 NaY3S4
2024-11-10 10:55:22.073395
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032706367).
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 agm032706367
data_agm032706367
_cell_length_a 8.96511
_cell_length_b 8.96511
_cell_length_c 8.06378
_cell_angle_alpha 75.84725
_cell_angle_beta 75.84725
_cell_angle_gamma 25.51529
_cell_volume 270.25988
_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 0.17171 0.17171 0.15452 1.00000
Na2 Na 0.82829 0.82829 0.84548 1.00000
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.16703 0.16703 0.66509 1.00000
Y3 Y 0.83297 0.83297 0.33491 1.00000
S1 S 0.66918 0.66918 0.42181 1.00000
S2 S 0.33777 0.33777 0.09646 1.00000
S3 S 0.33082 0.33082 0.57819 1.00000
S4 S 0.00118 0.00118 0.75686 1.00000
S5 S 0.99882 0.99882 0.24314 1.00000
S6 S 0.66223 0.66223 0.90354 1.00000
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