Sm2Th4Sc5
Alexandria ALEXAlex-ID: agm005678908 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_523_spg12
Sm SmTh4 Sc
2023-06-22 13:47:09.344362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678908).
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 agm005678908
data_agm005678908
_cell_length_a 3.47655
_cell_length_b 10.35638
_cell_length_c 13.46265
_cell_angle_alpha 138.30029
_cell_angle_beta 97.41865
_cell_angle_gamma 90.00001
_cell_volume 316.31366
_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 0.59805 0.73604 0.19609 1.00000
Sm2 Sm 0.40195 0.26396 0.80391 1.00000
Th1 Th 0.68129 0.45478 0.36257 1.00000
Th2 Th 0.04279 0.35457 0.08559 1.00000
Th3 Th 0.31871 0.54522 0.63743 1.00000
Th4 Th 0.95721 0.64543 0.91441 1.00000
Sc1 Sc 0.13654 0.10229 0.27309 1.00000
Sc2 Sc 0.86346 0.89771 0.72691 1.00000
Sc3 Sc 0.22974 0.81099 0.45947 1.00000
Sc4 Sc 0.50000 0.00000 0.00000 1.00000
Sc5 Sc 0.77026 0.18901 0.54053 1.00000
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