CeYEr6
Alexandria ALEXAlex-ID: agm005759326 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_724_spg2
YEr15 YEr5 Ce
2023-07-25 09:17:51.929910
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759326).
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 agm005759326
data_agm005759326
_cell_length_a 6.70231
_cell_length_b 6.45037
_cell_length_c 6.92455
_cell_angle_alpha 76.57059
_cell_angle_beta 59.98131
_cell_angle_gamma 89.08583
_cell_volume 250.32890
_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
Ce1 Ce 0.00000 0.50000 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.09206 0.76608 0.48085 1.00000
Er2 Er 0.57167 0.72848 0.52479 1.00000
Er3 Er 0.42833 0.27152 0.47521 1.00000
Er4 Er 0.90794 0.23392 0.51915 1.00000
Er5 Er 0.54851 0.74907 0.00046 1.00000
Er6 Er 0.45149 0.25093 0.99954 1.00000
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