SmY7Th3
Alexandria ALEXAlex-ID: agm005962394 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_118_spg12
Sm2Y Y2Th SmY2
2023-08-13 00:06:38.937772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962394).
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 agm005962394
data_agm005962394
_cell_length_a 6.34239
_cell_length_b 7.71400
_cell_length_c 7.69452
_cell_angle_alpha 82.36692
_cell_angle_beta 94.42052
_cell_angle_gamma 94.52498
_cell_volume 371.11099
_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 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.20562 0.23189 0.23222 1.00000
Y2 Y 0.26130 0.92305 0.57725 1.00000
Y3 Y 0.73893 0.42264 0.07602 1.00000
Y4 Y 0.26107 0.57736 0.92398 1.00000
Y5 Y 0.00000 0.50000 0.50000 1.00000
Y6 Y 0.73870 0.07695 0.42275 1.00000
Y7 Y 0.79438 0.76811 0.76778 1.00000
Th1 Th 0.99936 0.82559 0.17456 1.00000
Th2 Th 0.50000 0.00000 0.00000 1.00000
Th3 Th 0.00064 0.17441 0.82544 1.00000
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