Y5Ho6Th
Alexandria ALEXAlex-ID: agm003676022 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_52_spg12
YHo8 Ho2Th Y5Ho
2022-04-10 04:50:08.124152
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676022).
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 agm003676022
data_agm003676022
_cell_length_a 11.77761
_cell_length_b 6.15378
_cell_length_c 6.15131
_cell_angle_alpha 59.98669
_cell_angle_beta 85.00828
_cell_angle_gamma 79.98223
_cell_volume 380.16036
_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
Y1 Y 0.50000 0.16737 0.66527 1.00000
Y2 Y 0.00000 0.33328 0.33345 1.00000
Y3 Y 0.50000 0.50000 0.00000 1.00000
Y4 Y 1.00000 0.66672 0.66655 1.00000
Y5 Y 0.50000 0.83263 0.33473 1.00000
Ho1 Ho 0.75068 0.08277 0.32947 1.00000
Ho2 Ho 0.24932 0.58775 0.32947 1.00000
Ho3 Ho 0.24918 0.24646 0.00000 1.00000
Ho4 Ho 0.75082 0.75354 1.00000 1.00000
Ho5 Ho 0.75068 0.41225 0.67053 1.00000
Ho6 Ho 0.24932 0.91723 0.67053 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
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