CaY8Ho5
Alexandria ALEXAlex-ID: agm006116880 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
YHo8 Y5Ho Ca
2023-08-11 02:01:06.946809
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116880).
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 agm006116880
data_agm006116880
_cell_length_a 8.46705
_cell_length_b 8.46705
_cell_length_c 8.46705
_cell_angle_alpha 110.77095
_cell_angle_beta 110.77092
_cell_angle_gamma 106.90192
_cell_volume 466.57591
_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
Ca1 Ca 0.25000 0.75000 0.50000 1.00000
Y1 Y 0.01218 0.77418 0.09953 1.00000
Y2 Y 0.22582 0.32535 0.23800 1.00000
Y3 Y 0.59708 0.82453 0.41658 1.00000
Y4 Y 0.17547 0.59205 0.77255 1.00000
Y5 Y 0.81950 0.40292 0.22745 1.00000
Y6 Y 0.08736 0.98782 0.76200 1.00000
Y7 Y 0.67465 0.91264 0.90047 1.00000
Y8 Y 0.40795 0.18050 0.58342 1.00000
Ho1 Ho 0.87571 0.28196 0.81750 1.00000
Ho2 Ho 0.71804 0.53554 0.59375 1.00000
Ho3 Ho 0.46446 0.05821 0.18250 1.00000
Ho4 Ho 0.50000 0.50000 0.00000 1.00000
Ho5 Ho 0.94179 0.12429 0.40625 1.00000
Get direct link