Sm4Y3Ti2
Alexandria ALEXAlex-ID: agm013084089 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_354_spg12
Sm2Y SmY2 Ti
2024-07-20 01:00:24.916843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013084089).
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 agm013084089
data_agm013084089
_cell_length_a 5.24174
_cell_length_b 6.24188
_cell_length_c 9.41965
_cell_angle_alpha 77.89342
_cell_angle_beta 73.90322
_cell_angle_gamma 65.23958
_cell_volume 267.33746
_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 0.04828 0.26918 0.63688 1.00000
Sm2 Sm 0.69931 0.85833 0.74372 1.00000
Sm3 Sm 0.30069 0.14167 0.25628 1.00000
Sm4 Sm 0.95172 0.73082 0.36312 1.00000
Y1 Y 0.65049 0.56899 0.12926 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Y3 Y 0.34951 0.43101 0.87074 1.00000
Ti1 Ti 0.36679 0.71305 0.55107 1.00000
Ti2 Ti 0.63321 0.28695 0.44893 1.00000
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