Sr5Sm2Y3
Alexandria ALEXAlex-ID: agm011904037 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_827_spg2
Sm2Y SmY2 Sr
2024-06-27 19:56:13.615465
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011904037).
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 agm011904037
data_agm011904037
_cell_length_a 8.28848
_cell_length_b 10.06806
_cell_length_c 12.44126
_cell_angle_alpha 106.71325
_cell_angle_beta 97.12116
_cell_angle_gamma 113.57901
_cell_volume 876.89974
_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 0.02000 0.72943 0.62962 1.00000
Sr2 Sr 0.98000 0.27057 0.37038 1.00000
Sr3 Sr 0.36741 0.33811 0.84218 1.00000
Sr4 Sr 0.13663 0.65504 0.29956 1.00000
Sr5 Sr 0.63259 0.66189 0.15782 1.00000
Sr6 Sr 0.86337 0.34496 0.70044 1.00000
Sr7 Sr 0.70331 0.90072 0.48693 1.00000
Sr8 Sr 0.29669 0.09928 0.51307 1.00000
Sr9 Sr 0.54882 0.38676 0.33689 1.00000
Sr10 Sr 0.45118 0.61324 0.66311 1.00000
Sm1 Sm 0.92684 0.03757 0.82022 1.00000
Sm2 Sm 0.07316 0.96243 0.17978 1.00000
Sm3 Sm 0.78777 0.33791 0.99983 1.00000
Sm4 Sm 0.21223 0.66209 0.00017 1.00000
Y1 Y 0.30921 0.03080 0.98117 1.00000
Y2 Y 0.69079 0.96920 0.01883 1.00000
Y3 Y 0.49022 0.99191 0.24247 1.00000
Y4 Y 0.50978 0.00809 0.75753 1.00000
Y5 Y 0.84428 0.70468 0.90502 1.00000
Y6 Y 0.15572 0.29532 0.09498 1.00000
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