PrY6Er2Sc
Alexandria ALEXAlex-ID: agm004977321 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
YEr5 Y5Er PrY2 Sc
2022-08-02 14:20:27.357521
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004977321).
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 agm004977321
data_agm004977321
_cell_length_a 8.75392
_cell_length_b 9.12278
_cell_length_c 9.12278
_cell_angle_alpha 118.68129
_cell_angle_beta 90.90719
_cell_angle_gamma 90.90719
_cell_volume 638.84706
_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 0.25000 0.96683 0.03317 1.00000
Pr2 Pr 0.75000 0.03317 0.96683 1.00000
Y1 Y 0.05220 0.13232 0.79082 1.00000
Y2 Y 0.44780 0.20918 0.86768 1.00000
Y3 Y 0.94780 0.86768 0.20918 1.00000
Y4 Y 0.55220 0.79082 0.13232 1.00000
Y5 Y 0.29412 0.04586 0.45982 1.00000
Y6 Y 0.20588 0.54018 0.95414 1.00000
Y7 Y 0.70588 0.95414 0.54018 1.00000
Y8 Y 0.79412 0.45982 0.04586 1.00000
Y9 Y 0.09108 0.73348 0.47583 1.00000
Y10 Y 0.40892 0.52417 0.26652 1.00000
Y11 Y 0.90892 0.26652 0.52417 1.00000
Y12 Y 0.59108 0.47583 0.73348 1.00000
Er1 Er 0.44121 0.78835 0.67743 1.00000
Er2 Er 0.05879 0.32257 0.21165 1.00000
Er3 Er 0.55879 0.21165 0.32257 1.00000
Er4 Er 0.94121 0.67743 0.78835 1.00000
Sc1 Sc 0.25000 0.44286 0.55714 1.00000
Sc2 Sc 0.75000 0.55714 0.44286 1.00000
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