Sm(Y3Er)2
Alexandria ALEXAlex-ID: agm005602265 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1975_spg15
SmY2 YEr5 Y5Er
2023-07-10 16:28:08.887092
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602265).
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 agm005602265
data_agm005602265
_cell_length_a 5.72472
_cell_length_b 11.85432
_cell_length_c 11.85443
_cell_angle_alpha 47.97074
_cell_angle_beta 76.06494
_cell_angle_gamma 76.06491
_cell_volume 576.43296
_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 0.24998 0.25004 0.74996 1.00000
Sm2 Sm 0.75002 0.74996 0.25004 1.00000
Y1 Y 0.63394 0.50238 0.66648 1.00000
Y2 Y 0.86606 0.33352 0.49762 1.00000
Y3 Y 0.36606 0.49762 0.33352 1.00000
Y4 Y 0.13394 0.66648 0.50238 1.00000
Y5 Y 0.58266 0.91705 0.41736 1.00000
Y6 Y 0.91733 0.58265 0.08294 1.00000
Y7 Y 0.41734 0.08295 0.58264 1.00000
Y8 Y 0.08267 0.41735 0.91706 1.00000
Y9 Y 0.30280 0.83354 0.99748 1.00000
Y10 Y 0.19722 0.00251 0.16645 1.00000
Y11 Y 0.69720 0.16646 0.00252 1.00000
Y12 Y 0.80278 0.99749 0.83355 1.00000
Er1 Er 0.03336 0.83212 0.66788 1.00000
Er2 Er 0.46663 0.33213 0.16788 1.00000
Er3 Er 0.96664 0.16788 0.33212 1.00000
Er4 Er 0.53337 0.66787 0.83212 1.00000
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