Ce2Pr3YS6
Alexandria ALEXAlex-ID: agm004628895 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Ce6PrYS8 CeY2S3 CePr4S5
2022-06-30 05:15:04.410496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004628895).
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 agm004628895
data_agm004628895
_cell_length_a 7.00860
_cell_length_b 7.00860
_cell_length_c 7.02409
_cell_angle_alpha 99.60086
_cell_angle_beta 99.60086
_cell_angle_gamma 120.05846
_cell_volume 281.49147
_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
Ce1 Ce 0.33383 0.66617 0.00000 1.00000
Ce2 Ce 0.66617 0.33383 0.00000 1.00000
Pr1 Pr 0.16705 0.83295 0.50000 1.00000
Pr2 Pr 0.83295 0.16705 0.50000 1.00000
Pr3 Pr 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
S1 S 0.92048 0.59179 0.76055 1.00000
S2 S 0.75195 0.75195 0.24057 1.00000
S3 S 0.07952 0.40821 0.23945 1.00000
S4 S 0.59179 0.92048 0.76055 1.00000
S5 S 0.24805 0.24805 0.75943 1.00000
S6 S 0.40821 0.07952 0.23945 1.00000
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