SmYTh
Alexandria ALEXAlex-ID: agm005580486 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_11134_spg2
Sm2Y Y2Th3 Sm
2023-06-18 16:42:20.159785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005580486).
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 agm005580486
data_agm005580486
_cell_length_a 7.18667
_cell_length_b 6.23551
_cell_length_c 9.48439
_cell_angle_alpha 70.92526
_cell_angle_beta 100.88692
_cell_angle_gamma 89.90918
_cell_volume 393.53498
_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 0.70660 0.92230 0.32463 1.00000
Sm2 Sm 0.45700 0.42215 0.32440 1.00000
Sm3 Sm 0.54300 0.57785 0.67560 1.00000
Sm4 Sm 0.29340 0.07770 0.67537 1.00000
Y1 Y 0.95798 0.41971 0.32715 1.00000
Y2 Y 0.20604 0.92017 0.32645 1.00000
Y3 Y 0.79396 0.07983 0.67355 1.00000
Y4 Y 0.04202 0.58029 0.67285 1.00000
Th1 Th 0.12394 0.74997 0.99987 1.00000
Th2 Th 0.62686 0.74974 0.00027 1.00000
Th3 Th 0.37314 0.25026 0.99973 1.00000
Th4 Th 0.87606 0.25003 0.00013 1.00000
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