Pm4Y4Er3
Alexandria ALEXAlex-ID: agm005703327 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_146_spg12
Pm5Y PmY2 PmEr2
2023-06-30 04:44:24.942772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703327).
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 agm005703327
data_agm005703327
_cell_length_a 3.61095
_cell_length_b 9.30287
_cell_length_c 12.09485
_cell_angle_alpha 112.61776
_cell_angle_beta 98.58329
_cell_angle_gamma 89.99998
_cell_volume 370.11104
_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 0.64213 0.46350 0.28419 1.00000
Pm2 Pm 0.35787 0.17931 0.71581 1.00000
Pm3 Pm 0.35787 0.53650 0.71581 1.00000
Pm4 Pm 0.64213 0.82069 0.28419 1.00000
Y1 Y 0.74121 0.24124 0.48248 1.00000
Y2 Y 0.25879 0.75876 0.51752 1.00000
Y3 Y 0.50000 0.81823 1.00000 1.00000
Y4 Y 0.50000 0.18177 0.00000 1.00000
Er1 Er 0.89159 0.89158 0.78316 1.00000
Er2 Er 0.10841 0.10842 0.21684 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
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