EuErCuS3
Alexandria ALEXAlex-ID: agm078680285 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_1_spg11
EuErCuS3
2025-01-10 05:43:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078680285).
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
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# CIF generated by HEAS from Alexandria entry agm078680285
data_agm078680285
_cell_length_a 8.10944
_cell_length_b 3.87728
_cell_length_c 8.54816
_cell_angle_alpha 90.00000
_cell_angle_beta 103.19747
_cell_angle_gamma 90.00000
_cell_volume 261.67787
_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
Eu1 Eu 0.81502 0.75000 0.26588 1.00000
Eu2 Eu 0.18498 0.25000 0.73412 1.00000
Er1 Er 0.67109 0.25000 0.66763 1.00000
Er2 Er 0.32891 0.75000 0.33237 1.00000
Cu1 Cu 0.91500 0.75000 0.91310 1.00000
Cu2 Cu 0.08500 0.25000 0.08690 1.00000
S1 S 0.89710 0.75000 0.63654 1.00000
S2 S 0.10290 0.25000 0.36346 1.00000
S3 S 0.77940 0.25000 0.99006 1.00000
S4 S 0.22060 0.75000 0.00994 1.00000
S5 S 0.56611 0.25000 0.33703 1.00000
S6 S 0.43389 0.75000 0.66297 1.00000
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