Dy2Ho5Th4
Alexandria ALEXAlex-ID: agm005653608 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_541_spg12
Ho2Th Dy5Ho DyTh
2023-06-21 13:53:46.804526
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653608).
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 agm005653608
data_agm005653608
_cell_length_a 3.56654
_cell_length_b 9.34694
_cell_length_c 11.82422
_cell_angle_alpha 106.83403
_cell_angle_beta 81.37683
_cell_angle_gamma 112.38424
_cell_volume 348.50535
_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 0.87013 0.28085 0.82068 1.00000
Dy2 Dy 0.12987 0.71915 0.17932 1.00000
Ho1 Ho 0.95931 0.09591 0.27347 1.00000
Ho2 Ho 0.04069 0.90409 0.72653 1.00000
Ho3 Ho 0.58635 0.81328 0.45477 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.41365 0.18672 0.54523 1.00000
Th1 Th 0.77082 0.45256 0.36440 1.00000
Th2 Th 0.31657 0.36301 0.09250 1.00000
Th3 Th 0.22918 0.54744 0.63560 1.00000
Th4 Th 0.68343 0.63699 0.90750 1.00000
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