Sm4Y3Sc2
Alexandria ALEXAlex-ID: agm003336727 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_37_spg12
Sm2Y SmY2 Sc
2022-01-30 02:45:40.125351
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336727).
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 agm003336727
data_agm003336727
_cell_length_a 4.99434
_cell_length_b 7.86184
_cell_length_c 7.91231
_cell_angle_alpha 107.47327
_cell_angle_beta 108.39736
_cell_angle_gamma 90.00000
_cell_volume 279.64788
_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 0.55448 0.32691 0.10896 1.00000
Sm2 Sm 0.77775 0.67561 0.55549 1.00000
Sm3 Sm 0.44552 0.67309 0.89104 1.00000
Sm4 Sm 0.22225 0.32439 0.44451 1.00000
Y1 Y 0.88655 0.32682 0.77310 1.00000
Y2 Y 0.11345 0.67318 0.22690 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.33046 0.00056 0.66092 1.00000
Sc2 Sc 0.66954 0.99944 0.33908 1.00000
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