SmY3Mg
Alexandria ALEXAlex-ID: agm005827331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4938_spg12
Sm2Y SmY2 Y2Mg
2023-07-04 17:38:27.092097
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005827331).
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 agm005827331
data_agm005827331
_cell_length_a 3.71811
_cell_length_b 6.75253
_cell_length_c 12.84607
_cell_angle_alpha 87.12796
_cell_angle_beta 90.01493
_cell_angle_gamma 74.02612
_cell_volume 309.64548
_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 0.23396 0.53214 0.75702 1.00000
Sm2 Sm 0.76604 0.46786 0.24298 1.00000
Y1 Y 0.14693 0.70604 0.44366 1.00000
Y2 Y 0.36507 0.26958 0.02398 1.00000
Y3 Y 0.03617 0.92790 0.18742 1.00000
Y4 Y 0.85307 0.29396 0.55634 1.00000
Y5 Y 0.96383 0.07210 0.81258 1.00000
Y6 Y 0.63493 0.73042 0.97602 1.00000
Mg1 Mg 0.55647 0.88661 0.62626 1.00000
Mg2 Mg 0.44353 0.11339 0.37374 1.00000
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