Sm8Y3Th2
Alexandria ALEXAlex-ID: agm005603856 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_549_spg2
Sm2Y Y2Th3 Sm
2023-06-17 00:01:16.940021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603856).
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 agm005603856
data_agm005603856
_cell_length_a 12.66524
_cell_length_b 6.58804
_cell_length_c 16.31637
_cell_angle_alpha 102.90690
_cell_angle_beta 76.33648
_cell_angle_gamma 138.42065
_cell_volume 875.64640
_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 0.75666 0.92848 0.18391 1.00000
Sm2 Sm 0.65762 0.65081 0.40160 1.00000
Sm3 Sm 0.03217 0.23455 0.80256 1.00000
Sm4 Sm 0.60407 0.48787 0.91551 1.00000
Sm5 Sm 0.54547 0.07674 0.27290 1.00000
Sm6 Sm 0.86523 0.39957 0.37737 1.00000
Sm7 Sm 0.22781 0.90560 0.42474 1.00000
Sm8 Sm 0.80121 0.22597 0.00149 1.00000
Sm9 Sm 0.19879 0.77403 0.99851 1.00000
Sm10 Sm 0.77219 0.09440 0.57526 1.00000
Sm11 Sm 0.96783 0.76545 0.19744 1.00000
Sm12 Sm 0.45453 0.92326 0.72710 1.00000
Sm13 Sm 0.39593 0.51213 0.08449 1.00000
Sm14 Sm 0.13477 0.60043 0.62263 1.00000
Sm15 Sm 0.34238 0.34919 0.59840 1.00000
Sm16 Sm 0.24334 0.07152 0.81609 1.00000
Y1 Y 0.36252 0.35437 0.27833 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.84489 0.45394 0.78770 1.00000
Y4 Y 0.15511 0.54606 0.21230 1.00000
Y5 Y 0.00000 0.00000 0.00000 1.00000
Y6 Y 0.63748 0.64563 0.72167 1.00000
Th1 Th 0.52701 0.20791 0.10093 1.00000
Th2 Th 0.92707 0.79052 0.57976 1.00000
Th3 Th 0.07293 0.20948 0.42024 1.00000
Th4 Th 0.47299 0.79209 0.89907 1.00000
