Ce3(PrS2)2
Alexandria ALEXAlex-ID: agm005689254 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Ce3PrS4 Pr
2023-06-29 01:32:20.132787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689254).
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 agm005689254
data_agm005689254
_cell_length_a 4.01580
_cell_length_b 6.97681
_cell_length_c 9.03073
_cell_angle_alpha 75.05062
_cell_angle_beta 77.15343
_cell_angle_gamma 73.27392
_cell_volume 231.09397
_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 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.20105 0.40113 0.19677 1.00000
Ce3 Ce 0.79895 0.59887 0.80323 1.00000
Pr1 Pr 0.60094 0.19790 0.60021 1.00000
Pr2 Pr 0.39906 0.80210 0.39979 1.00000
S1 S 0.79961 0.10375 0.29703 1.00000
S2 S 0.20039 0.89625 0.70297 1.00000
S3 S 0.39874 0.30061 0.90191 1.00000
S4 S 0.60126 0.69939 0.09809 1.00000
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