Sm3(Y4Er)2
Alexandria ALEXAlex-ID: agm010224855 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_147_spg12
SmY2 YEr5 Y5Er
2024-05-10 21:42:45.812740
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010224855).
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 agm010224855
data_agm010224855
_cell_length_a 6.19040
_cell_length_b 6.19367
_cell_length_c 11.30218
_cell_angle_alpha 89.90234
_cell_angle_beta 100.51809
_cell_angle_gamma 99.56727
_cell_volume 419.94954
_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 0.22976 0.53788 0.92276 1.00000
Sm3 Sm 0.77024 0.46212 0.07724 1.00000
Y1 Y 0.53857 0.92376 0.15573 1.00000
Y2 Y 0.46143 0.07624 0.84427 1.00000
Y3 Y 0.07664 0.84766 0.31018 1.00000
Y4 Y 0.92336 0.15234 0.68982 1.00000
Y5 Y 0.69218 0.61309 0.76688 1.00000
Y6 Y 0.15519 0.69249 0.61369 1.00000
Y7 Y 0.84481 0.30751 0.38631 1.00000
Y8 Y 0.30782 0.38691 0.23312 1.00000
Er1 Er 0.38575 0.23102 0.53750 1.00000
Er2 Er 0.61425 0.76898 0.46250 1.00000
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