PmY7Er3
Alexandria ALEXAlex-ID: agm005962767 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_250_spg10
PmY2 YEr5 Y5Er
2023-08-13 00:39:33.804443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962767).
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 agm005962767
data_agm005962767
_cell_length_a 5.55423
_cell_length_b 9.95597
_cell_length_c 8.87271
_cell_angle_alpha 104.97297
_cell_angle_beta 128.74508
_cell_angle_gamma 89.99786
_cell_volume 361.06785
_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
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.92468 0.83159 0.92462 1.00000
Y2 Y 0.85254 0.71132 0.35276 1.00000
Y3 Y 0.67679 0.35990 0.17683 1.00000
Y4 Y 0.32321 0.64010 0.82317 1.00000
Y5 Y 0.50000 0.00000 0.50000 1.00000
Y6 Y 0.14746 0.28868 0.64724 1.00000
Y7 Y 0.07532 0.16841 0.07538 1.00000
Er1 Er 0.27635 0.99631 0.77639 1.00000
Er2 Er 0.00000 0.50000 0.00000 1.00000
Er3 Er 0.72365 0.00369 0.22361 1.00000
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