Tb3DyYEr
Alexandria ALEXAlex-ID: agm024011817 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_0_spg63
TbDy5 Tb2DyEr6 Y5Er Tb5Dy
2024-12-24 02:46:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024011817).
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 agm024011817
data_agm024011817
_cell_length_a 9.41980
_cell_length_b 9.41980
_cell_length_c 11.51347
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.23307
_cell_volume 378.84961
_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
Tb1 Tb 0.33309 0.66691 0.99923 1.00000
Tb2 Tb 0.66691 0.33309 0.00077 1.00000
Tb3 Tb 0.66691 0.33309 0.49923 1.00000
Tb4 Tb 0.33309 0.66691 0.50077 1.00000
Tb5 Tb 0.88833 0.11167 0.25000 1.00000
Tb6 Tb 0.11167 0.88833 0.75000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.55588 0.44412 0.25000 1.00000
Y2 Y 0.44412 0.55588 0.75000 1.00000
Er1 Er 0.22253 0.77747 0.25000 1.00000
Er2 Er 0.77747 0.22253 0.75000 1.00000
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