Dy2Y(HoS2)3
Alexandria ALEXAlex-ID: agm032196564 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_498_spg12
DyY4S5 Dy4HoS5 DyHo4S5
2024-12-04 15:32:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032196564).
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 agm032196564
data_agm032196564
_cell_length_a 8.70571
_cell_length_b 8.70571
_cell_length_c 7.79664
_cell_angle_alpha 77.06465
_cell_angle_beta 102.93535
_cell_angle_gamma 154.13261
_cell_volume 250.91271
_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
Dy1 Dy 0.16629 0.83371 0.33358 1.00000
Dy2 Dy 0.83371 0.16629 0.66642 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.83312 0.16688 0.16712 1.00000
Ho3 Ho 0.16688 0.83312 0.83288 1.00000
S1 S 0.66711 0.33289 0.58491 1.00000
S2 S 0.33346 0.66654 0.91818 1.00000
S3 S 0.33289 0.66711 0.41509 1.00000
S4 S 0.00080 0.99920 0.75262 1.00000
S5 S 0.99920 0.00080 0.24738 1.00000
S6 S 0.66654 0.33346 0.08182 1.00000
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