Sm2Y2Mg
Alexandria ALEXAlex-ID: agm003398144 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_108_spg141
Y2Mg Sm
2022-02-11 04:22:32.494550
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003398144).
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 agm003398144
data_agm003398144
_cell_length_a 5.18333
_cell_length_b 5.18333
_cell_length_c 13.11272
_cell_angle_alpha 101.39928
_cell_angle_beta 101.39928
_cell_angle_gamma 90.00000
_cell_volume 338.25648
_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 0.42086 0.92086 0.84172 1.00000
Sm2 Sm 0.67086 0.67086 0.34172 1.00000
Sm3 Sm 0.32914 0.32914 0.65828 1.00000
Sm4 Sm 0.07914 0.57914 0.15828 1.00000
Y1 Y 0.82354 0.82354 0.64707 1.00000
Y2 Y 0.57354 0.07354 0.14707 1.00000
Y3 Y 0.92646 0.42646 0.85293 1.00000
Y4 Y 0.17646 0.17646 0.35293 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.25000 0.75000 0.50000 1.00000
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