Ce3Dy3TmS8
Alexandria ALEXAlex-ID: agm004697261 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
Tm3S4 Dy5S6 Tm2S3 CeS
2023-02-20 00:14:56.799289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004697261).
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 agm004697261
data_agm004697261
_cell_length_a 7.86901
_cell_length_b 7.86941
_cell_length_c 7.96818
_cell_angle_alpha 119.58850
_cell_angle_beta 89.99943
_cell_angle_gamma 120.00303
_cell_volume 351.04443
_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 0.00000 0.50000 0.00000 1.00000
Ce3 Ce 0.50000 0.50000 0.00000 1.00000
Dy1 Dy 0.50000 0.00000 0.50000 1.00000
Dy2 Dy 0.50000 0.50000 0.50000 1.00000
Dy3 Dy 0.00000 0.50000 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 0.50000 1.00000
S1 S 0.25398 0.50794 0.26190 1.00000
S2 S 0.74602 0.49206 0.73810 1.00000
S3 S 0.75545 0.51087 0.26318 1.00000
S4 S 0.24455 0.48913 0.73682 1.00000
S5 S 0.75544 0.00775 0.26319 1.00000
S6 S 0.24456 0.99225 0.73681 1.00000
S7 S 0.25232 0.00775 0.26320 1.00000
S8 S 0.74768 0.99225 0.73680 1.00000
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