Pr(Y2Er)6
Alexandria ALEXAlex-ID: agm006100892 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_30_spg148
YEr5 Y5Er PrY2
2023-08-30 03:02:54.196491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100892).
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 agm006100892
data_agm006100892
_cell_length_a 8.72044
_cell_length_b 9.41151
_cell_length_c 9.41151
_cell_angle_alpha 69.08942
_cell_angle_beta 72.00960
_cell_angle_gamma 107.99039
_cell_volume 605.12865
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.52411 0.84181 0.26526 1.00000
Y2 Y 0.68230 0.89293 0.84181 1.00000
Y3 Y 0.78937 0.26526 0.89293 1.00000
Y4 Y 0.47589 0.15819 0.73474 1.00000
Y5 Y 0.31770 0.10707 0.15819 1.00000
Y6 Y 0.21063 0.73474 0.10707 1.00000
Y7 Y 0.26355 0.42333 0.62970 1.00000
Y8 Y 0.10676 0.37030 0.05303 1.00000
Y9 Y 0.15978 0.05303 0.57667 1.00000
Y10 Y 0.73645 0.57667 0.37030 1.00000
Y11 Y 0.89324 0.62970 0.94697 1.00000
Y12 Y 0.84022 0.94697 0.42333 1.00000
Er1 Er 0.42110 0.47283 0.21046 1.00000
Er2 Er 0.05173 0.68329 0.52717 1.00000
Er3 Er 0.36844 0.78954 0.68329 1.00000
Er4 Er 0.57890 0.52717 0.78954 1.00000
Er5 Er 0.94827 0.31671 0.47283 1.00000
Er6 Er 0.63156 0.21046 0.31671 1.00000
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