Ce2Y12Er5
Alexandria ALEXAlex-ID: agm005668694 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_512_spg2
YEr5 Y5Er Ce
2023-06-26 18:19:36.457031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668694).
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 agm005668694
data_agm005668694
_cell_length_a 6.72440
_cell_length_b 17.72843
_cell_length_c 8.90049
_cell_angle_alpha 139.04968
_cell_angle_beta 99.97219
_cell_angle_gamma 99.44879
_cell_volume 609.22825
_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 0.71683 0.00933 0.04426 1.00000
Ce2 Ce 0.28317 0.99067 0.95574 1.00000
Y1 Y 0.83632 0.75664 0.75504 1.00000
Y2 Y 0.97831 0.59168 0.75143 1.00000
Y3 Y 0.51585 0.61345 0.83591 1.00000
Y4 Y 0.16360 0.78093 0.34162 1.00000
Y5 Y 0.69557 0.80905 0.46994 1.00000
Y6 Y 0.59525 0.10080 0.80848 1.00000
Y7 Y 0.40475 0.89920 0.19152 1.00000
Y8 Y 0.83640 0.21907 0.65838 1.00000
Y9 Y 0.30443 0.19095 0.53006 1.00000
Y10 Y 0.02169 0.40832 0.24857 1.00000
Y11 Y 0.48415 0.38655 0.16409 1.00000
Y12 Y 0.16368 0.24336 0.24496 1.00000
Er1 Er 0.28165 0.69754 0.57670 1.00000
Er2 Er 0.23559 0.48942 0.95093 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Er4 Er 0.76441 0.51058 0.04907 1.00000
Er5 Er 0.71835 0.30246 0.42330 1.00000
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