Pm4Y5Er2
Alexandria ALEXAlex-ID: agm005641348 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_175_spg12
Pm5Y PmY2 PmEr2
2023-06-22 21:31:24.875991
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641348).
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 agm005641348
data_agm005641348
_cell_length_a 3.55276
_cell_length_b 8.64765
_cell_length_c 12.18150
_cell_angle_alpha 94.63623
_cell_angle_beta 98.38517
_cell_angle_gamma 90.00009
_cell_volume 369.01363
_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 0.27573 0.17305 0.55147 1.00000
Pm2 Pm 0.96060 0.65581 0.92121 1.00000
Pm3 Pm 0.72427 0.82695 0.44853 1.00000
Pm4 Pm 0.03940 0.34419 0.07879 1.00000
Y1 Y 0.81535 0.52582 0.63070 1.00000
Y2 Y 0.18465 0.47418 0.36930 1.00000
Y3 Y 0.86984 0.95394 0.73968 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.13016 0.04606 0.26032 1.00000
Er1 Er 0.41216 0.30430 0.82433 1.00000
Er2 Er 0.58784 0.69570 0.17567 1.00000
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