CaYEr
Alexandria ALEXAlex-ID: agm005667624 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_627_spg63
YEr5 Y5Er Ca
2023-06-19 09:37:48.884421
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667624).
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 agm005667624
data_agm005667624
_cell_length_a 3.88611
_cell_length_b 5.82402
_cell_length_c 12.36787
_cell_angle_alpha 103.60219
_cell_angle_beta 129.11001
_cell_angle_gamma 90.01463
_cell_volume 206.96872
_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 0.26833 0.25447 0.50927 1.00000
Ca2 Ca 0.73167 0.74553 0.49073 1.00000
Y1 Y 0.05865 0.07857 0.15365 1.00000
Y2 Y 0.94135 0.92143 0.84635 1.00000
Er1 Er 0.45510 0.42466 0.85314 1.00000
Er2 Er 0.54490 0.57534 0.14686 1.00000
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