SmY4Er
Alexandria ALEXAlex-ID: agm024746920 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1141_spg36
SmY2 YEr5 Y5Er
2025-01-25 09:50:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024746920).
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 agm024746920
data_agm024746920
_cell_length_a 9.45880
_cell_length_b 9.45880
_cell_length_c 11.54877
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.15181
_cell_volume 384.52455
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.22171 0.77829 0.25000 1.00000
Y2 Y 0.77829 0.22171 0.75000 1.00000
Y3 Y 0.33351 0.66649 0.99975 1.00000
Y4 Y 0.66649 0.33351 0.00025 1.00000
Y5 Y 0.66649 0.33351 0.49975 1.00000
Y6 Y 0.33351 0.66649 0.50025 1.00000
Y7 Y 0.88873 0.11127 0.25000 1.00000
Y8 Y 0.11127 0.88873 0.75000 1.00000
Er1 Er 0.55545 0.44455 0.25000 1.00000
Er2 Er 0.44455 0.55545 0.75000 1.00000
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