Y2Th4Sc3
Alexandria ALEXAlex-ID: agm005659737 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_366_spg12
Y2Th3 Th Sc
2023-06-28 07:10:48.522672
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659737).
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 agm005659737
data_agm005659737
_cell_length_a 3.54568
_cell_length_b 8.46788
_cell_length_c 9.09277
_cell_angle_alpha 92.40923
_cell_angle_beta 101.24310
_cell_angle_gamma 90.00000
_cell_volume 267.51966
_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
Y1 Y 0.66154 0.98949 0.32308 1.00000
Y2 Y 0.33846 0.01051 0.67692 1.00000
Th1 Th 0.44611 0.67309 0.89222 1.00000
Th2 Th 0.22360 0.33546 0.44720 1.00000
Th3 Th 0.55389 0.32691 0.10778 1.00000
Th4 Th 0.77640 0.66454 0.55280 1.00000
Sc1 Sc 0.10760 0.65047 0.21519 1.00000
Sc2 Sc 0.89240 0.34953 0.78481 1.00000
Sc3 Sc 0.00000 0.00000 0.00000 1.00000
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