Pr3Y6Er
Alexandria ALEXAlex-ID: agm003569321 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_807_spg36
YEr5 Pr PrY2
2022-04-02 20:56:12.085756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003569321).
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 agm003569321
data_agm003569321
_cell_length_a 6.91983
_cell_length_b 11.45993
_cell_length_c 11.45993
_cell_angle_alpha 131.78622
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 677.62056
_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 0.45303 0.61841 0.74857 1.00000
Pr2 Pr 0.95303 0.74857 0.61841 1.00000
Pr3 Pr 0.93244 0.84692 0.15308 1.00000
Pr4 Pr 0.43244 0.15308 0.84692 1.00000
Pr5 Pr 0.95303 0.38159 0.25143 1.00000
Pr6 Pr 0.45303 0.25143 0.38159 1.00000
Y1 Y 0.17208 0.54084 0.08034 1.00000
Y2 Y 0.67208 0.08034 0.54084 1.00000
Y3 Y 0.45935 0.41139 0.22112 1.00000
Y4 Y 0.95935 0.22112 0.41139 1.00000
Y5 Y 0.20035 0.00245 0.99755 1.00000
Y6 Y 0.44195 0.84433 0.15567 1.00000
Y7 Y 0.94195 0.15567 0.84433 1.00000
Y8 Y 0.70035 0.99755 0.00245 1.00000
Y9 Y 0.45935 0.77888 0.58861 1.00000
Y10 Y 0.95935 0.58861 0.77888 1.00000
Y11 Y 0.17208 0.91966 0.45916 1.00000
Y12 Y 0.67208 0.45916 0.91966 1.00000
Er1 Er 0.24169 0.30224 0.69776 1.00000
Er2 Er 0.74169 0.69776 0.30224 1.00000
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