Pm2Y12Er5
Alexandria ALEXAlex-ID: agm005656736 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_413_spg2
PmY2 YEr5 Y5Er
2023-06-26 14:47:05.767323
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656736).
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 agm005656736
data_agm005656736
_cell_length_a 6.73244
_cell_length_b 11.64888
_cell_length_c 11.36226
_cell_angle_alpha 134.81763
_cell_angle_beta 87.55213
_cell_angle_gamma 100.47973
_cell_volume 616.86737
_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 0.88150 0.73461 0.74862 1.00000
Pm2 Pm 0.11850 0.26539 0.25138 1.00000
Y1 Y 0.11763 0.85261 0.09043 1.00000
Y2 Y 0.16430 0.44377 0.85799 1.00000
Y3 Y 0.66219 0.57060 0.88334 1.00000
Y4 Y 0.10983 0.69312 0.46745 1.00000
Y5 Y 0.61601 0.78073 0.53556 1.00000
Y6 Y 0.34744 0.02607 0.89135 1.00000
Y7 Y 0.65256 0.97393 0.10865 1.00000
Y8 Y 0.89017 0.30688 0.53255 1.00000
Y9 Y 0.38399 0.21927 0.46444 1.00000
Y10 Y 0.83570 0.55623 0.14201 1.00000
Y11 Y 0.33781 0.42940 0.11666 1.00000
Y12 Y 0.88237 0.14739 0.90957 1.00000
Er1 Er 0.34395 0.61541 0.68436 1.00000
Er2 Er 0.45856 0.81896 0.28222 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Er4 Er 0.54144 0.18104 0.71778 1.00000
Er5 Er 0.65605 0.38459 0.31564 1.00000
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