Ce2Sm(ThS2)3
Alexandria ALEXAlex-ID: agm035996472 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
CeThS2 CeTh3S4 CeSm4S5
2025-02-06 17:15:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035996472).
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 agm035996472
data_agm035996472
_cell_length_a 9.01419
_cell_length_b 9.01419
_cell_length_c 8.08849
_cell_angle_alpha 76.54504
_cell_angle_beta 103.45496
_cell_angle_gamma 154.25315
_cell_volume 277.24862
_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 0.16730 0.83270 0.33473 1.00000
Ce2 Ce 0.83270 0.16730 0.66527 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Th2 Th 0.16692 0.83308 0.83188 1.00000
Th3 Th 0.83308 0.16692 0.16812 1.00000
S1 S 0.66523 0.33477 0.08432 1.00000
S2 S 0.33278 0.66722 0.41887 1.00000
S3 S 0.33477 0.66523 0.91568 1.00000
S4 S 0.99909 0.00091 0.75329 1.00000
S5 S 0.00091 0.99909 0.24671 1.00000
S6 S 0.66722 0.33278 0.58113 1.00000
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