Dy4Y7Th
Alexandria ALEXAlex-ID: agm003665552 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Y2Th Dy5Y DyY5
2022-04-20 17:54:44.122038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665552).
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 agm003665552
data_agm003665552
_cell_length_a 5.92353
_cell_length_b 11.59012
_cell_length_c 6.74868
_cell_angle_alpha 83.38407
_cell_angle_beta 63.96846
_cell_angle_gamma 75.19429
_cell_volume 402.49847
_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 0.63936 0.22446 0.49682 1.00000
Dy2 Dy 0.36064 0.77554 0.50318 1.00000
Dy3 Dy 0.75665 0.67915 0.80754 1.00000
Dy4 Dy 0.24335 0.32085 0.19246 1.00000
Y1 Y 0.78677 0.92268 0.50378 1.00000
Y2 Y 0.21323 0.07732 0.49622 1.00000
Y3 Y 0.06075 0.67823 0.20026 1.00000
Y4 Y 0.93925 0.32177 0.79974 1.00000
Y5 Y 0.36677 0.50054 0.76592 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.63323 0.49946 0.23408 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
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