CaDy3(ErS3)2
Alexandria ALEXAlex-ID: agm024648564 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Dy4ErS5 DyEr4S5 CaS
2025-02-03 06:57:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024648564).
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 agm024648564
data_agm024648564
_cell_length_a 6.75739
_cell_length_b 6.75739
_cell_length_c 6.77398
_cell_angle_alpha 80.48984
_cell_angle_beta 99.51016
_cell_angle_gamma 59.93346
_cell_volume 252.62638
_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
Ca1 Ca 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.16427 0.16427 0.00000 1.00000
Dy2 Dy 0.83573 0.83573 0.00000 1.00000
Dy3 Dy 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.33307 0.33307 0.50000 1.00000
Er2 Er 0.66693 0.66693 0.50000 1.00000
S1 S 0.41911 0.91703 0.74930 1.00000
S2 S 0.25409 0.74591 0.25502 1.00000
S3 S 0.58089 0.08297 0.25070 1.00000
S4 S 0.08297 0.58089 0.74930 1.00000
S5 S 0.74591 0.25409 0.74498 1.00000
S6 S 0.91703 0.41911 0.25070 1.00000
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