Dy2Y3Th
Alexandria ALEXAlex-ID: agm020186052 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_3072_spg12
Y2Th Dy5Y DyY5
2025-04-14 14:32:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020186052).
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
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# CIF generated by HEAS from Alexandria entry agm020186052
data_agm020186052
_cell_length_a 9.45000
_cell_length_b 9.45000
_cell_length_c 10.09671
_cell_angle_alpha 57.66749
_cell_angle_beta 122.33251
_cell_angle_gamma 149.02461
_cell_volume 386.03128
_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 0.25234 0.74766 0.62802 1.00000
Dy2 Dy 0.74766 0.25234 0.37198 1.00000
Dy3 Dy 0.91741 0.08259 0.79469 1.00000
Dy4 Dy 0.08259 0.91741 0.20531 1.00000
Y1 Y 0.24985 0.75015 0.12531 1.00000
Y2 Y 0.08351 0.91649 0.71137 1.00000
Y3 Y 0.41776 0.58224 0.54572 1.00000
Y4 Y 0.75015 0.24985 0.87469 1.00000
Y5 Y 0.58224 0.41776 0.45428 1.00000
Y6 Y 0.91649 0.08351 0.28863 1.00000
Th1 Th 0.41918 0.58082 0.04068 1.00000
Th2 Th 0.58082 0.41918 0.95932 1.00000
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