Sm2Y6Mg
Alexandria ALEXAlex-ID: agm005679283 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2022_spg12
SmY2 Y2Mg
2023-07-08 17:58:57.480885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679283).
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 agm005679283
data_agm005679283
_cell_length_a 7.15290
_cell_length_b 8.56192
_cell_length_c 14.56744
_cell_angle_alpha 138.51109
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 591.02531
_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 0.49994 0.21263 0.23657 1.00000
Sm2 Sm 0.99994 0.28737 0.26343 1.00000
Sm3 Sm 0.00006 0.71263 0.73657 1.00000
Sm4 Sm 0.50006 0.78737 0.76343 1.00000
Y1 Y 0.99984 0.24883 0.82232 1.00000
Y2 Y 0.25816 0.25063 0.45871 1.00000
Y3 Y 0.24190 0.24929 0.04125 1.00000
Y4 Y 0.74190 0.25071 0.45875 1.00000
Y5 Y 0.75816 0.24937 0.04129 1.00000
Y6 Y 0.49984 0.25117 0.67768 1.00000
Y7 Y 0.00016 0.75117 0.17768 1.00000
Y8 Y 0.74184 0.74937 0.54129 1.00000
Y9 Y 0.75810 0.75071 0.95875 1.00000
Y10 Y 0.25810 0.74929 0.54125 1.00000
Y11 Y 0.24184 0.75063 0.95871 1.00000
Y12 Y 0.50016 0.74883 0.32232 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
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