Dy5Er5Th2
Alexandria ALEXAlex-ID: agm005646498 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Dy7Er2 Dy2Th Er2Th
2023-06-18 23:09:44.831217
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646498).
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 agm005646498
data_agm005646498
_cell_length_a 5.01962
_cell_length_b 10.57904
_cell_length_c 7.91446
_cell_angle_alpha 98.56025
_cell_angle_beta 71.51134
_cell_angle_gamma 76.27607
_cell_volume 375.58042
_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 0.00000 0.50000 0.50000 1.00000
Dy2 Dy 0.66810 0.74691 0.91689 1.00000
Dy3 Dy 0.33344 0.99891 0.33422 1.00000
Dy4 Dy 0.66656 0.00109 0.66578 1.00000
Dy5 Dy 0.33190 0.25309 0.08311 1.00000
Er1 Er 0.66627 0.25034 0.41711 1.00000
Er2 Er 0.99712 0.25340 0.75236 1.00000
Er3 Er 0.00288 0.74660 0.24764 1.00000
Er4 Er 0.33373 0.74966 0.58289 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.33157 0.50033 0.83653 1.00000
Th2 Th 0.66843 0.49967 0.16347 1.00000
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