Sr3Er3CuS8
Alexandria ALEXAlex-ID: agm004693045 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
Sr(ErS2)2 SrErCuS3 SrS
2023-02-20 02:59:25.206210
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004693045).
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 agm004693045
data_agm004693045
_cell_length_a 7.94442
_cell_length_b 7.94037
_cell_length_c 8.17446
_cell_angle_alpha 119.04854
_cell_angle_beta 89.99972
_cell_angle_gamma 120.01785
_cell_volume 369.68542
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.00000 0.50000 0.00000 1.00000
Sr3 Sr 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.50000 0.00000 0.50000 1.00000
Er2 Er 0.50000 0.50000 0.50000 1.00000
Er3 Er 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
S1 S 0.25783 0.51566 0.27351 1.00000
S2 S 0.74217 0.48434 0.72649 1.00000
S3 S 0.76170 0.52340 0.28347 1.00000
S4 S 0.23830 0.47660 0.71653 1.00000
S5 S 0.76077 0.02185 0.28265 1.00000
S6 S 0.23923 0.97815 0.71735 1.00000
S7 S 0.26108 0.02185 0.28265 1.00000
S8 S 0.73892 0.97815 0.71735 1.00000
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