Dy3HoMg3
Alexandria ALEXAlex-ID: agm005993405 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_610_spg65
DyHoMg DyMg
2023-08-07 20:37:12.796987
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993405).
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 agm005993405
data_agm005993405
_cell_length_a 7.71833
_cell_length_b 7.71833
_cell_length_c 6.90221
_cell_angle_alpha 89.95204
_cell_angle_beta 89.95205
_cell_angle_gamma 92.73936
_cell_volume 410.71230
_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 0.99998 0.99998 0.75425 1.00000
Dy2 Dy 0.49962 0.00032 0.25239 1.00000
Dy3 Dy 0.00032 0.49962 0.25239 1.00000
Dy4 Dy 0.50038 0.99968 0.74761 1.00000
Dy5 Dy 0.99968 0.50038 0.74761 1.00000
Dy6 Dy 0.00002 0.00002 0.24575 1.00000
Ho1 Ho 0.31133 0.31133 0.99882 1.00000
Ho2 Ho 0.68867 0.68867 0.00118 1.00000
Mg1 Mg 0.27191 0.27191 0.49961 1.00000
Mg2 Mg 0.32577 0.67423 0.50000 1.00000
Mg3 Mg 0.67423 0.32577 0.50000 1.00000
Mg4 Mg 0.25557 0.74443 0.00000 1.00000
Mg5 Mg 0.74443 0.25557 1.00000 1.00000
Mg6 Mg 0.72809 0.72809 0.50039 1.00000
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