Dy8ThSc2
Alexandria ALEXAlex-ID: agm003532437 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_278_spg12
Dy2Th Dy Sc
2022-03-17 12:36:13.786114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003532437).
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 agm003532437
data_agm003532437
_cell_length_a 4.95355
_cell_length_b 7.82436
_cell_length_c 9.24800
_cell_angle_alpha 104.90945
_cell_angle_beta 105.53443
_cell_angle_gamma 90.00000
_cell_volume 332.80139
_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
Dy1 Dy 0.40616 0.54362 0.81233 1.00000
Dy2 Dy 0.68195 0.91161 0.36391 1.00000
Dy3 Dy 0.86197 0.81137 0.72394 1.00000
Dy4 Dy 0.95308 0.26831 0.90616 1.00000
Dy5 Dy 0.13803 0.18863 0.27606 1.00000
Dy6 Dy 0.31805 0.08839 0.63609 1.00000
Dy7 Dy 0.59384 0.45638 0.18767 1.00000
Dy8 Dy 0.04692 0.73169 0.09385 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Sc1 Sc 0.77124 0.36643 0.54248 1.00000
Sc2 Sc 0.22876 0.63357 0.45752 1.00000
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