Pr2Sm(HoEr)2
Alexandria ALEXAlex-ID: agm025463753 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_70_spg2
PrHoEr Sm3(Ho2Er)2 Sm3(HoEr2)2 PrSm4
2025-05-26 22:10:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025463753).
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
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# CIF generated by HEAS from Alexandria entry agm025463753
data_agm025463753
_cell_length_a 6.21035
_cell_length_b 6.21035
_cell_length_c 8.02327
_cell_angle_alpha 82.48110
_cell_angle_beta 97.51890
_cell_angle_gamma 131.67485
_cell_volume 228.74430
_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 0.28709 0.71291 0.85412 1.00000
Pr2 Pr 0.71291 0.28709 0.14588 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.42791 0.57209 0.29142 1.00000
Ho2 Ho 0.57209 0.42791 0.70858 1.00000
Er1 Er 0.85798 0.14202 0.57082 1.00000
Er2 Er 0.14202 0.85798 0.42918 1.00000
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