Y2Er5Th3
Alexandria ALEXAlex-ID: agm005594944 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_182_spg12
Y5Er YErTh2 Er2Th
2023-06-25 13:05:09.243814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005594944).
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 agm005594944
data_agm005594944
_cell_length_a 5.01828
_cell_length_b 6.12312
_cell_length_c 12.84531
_cell_angle_alpha 61.05499
_cell_angle_beta 78.73570
_cell_angle_gamma 65.80890
_cell_volume 315.06562
_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 0.40208 0.99477 0.20106 1.00000
Y2 Y 0.59792 0.00523 0.79894 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.20045 0.99942 0.59968 1.00000
Er3 Er 0.79955 0.00058 0.40032 1.00000
Er4 Er 0.69960 0.49979 0.10100 1.00000
Er5 Er 0.30040 0.50021 0.89900 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Th2 Th 0.09902 0.50217 0.29979 1.00000
Th3 Th 0.90098 0.49783 0.70021 1.00000
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