Pr2Sm4Er3
Alexandria ALEXAlex-ID: agm024643219 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_9_spg12
Pr(SmEr3)2 PrSm4 Pr
2025-03-08 19:44:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024643219).
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 agm024643219
data_agm024643219
_cell_length_a 9.59742
_cell_length_b 9.59742
_cell_length_c 9.65767
_cell_angle_alpha 64.95597
_cell_angle_beta 115.04403
_cell_angle_gamma 158.13674
_cell_volume 298.90082
_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 0.33467 0.66533 0.00314 1.00000
Pr2 Pr 0.66533 0.33467 0.99686 1.00000
Sm1 Sm 0.81424 0.18576 0.66611 1.00000
Sm2 Sm 0.18576 0.81424 0.33389 1.00000
Sm3 Sm 0.51880 0.48120 0.33459 1.00000
Sm4 Sm 0.48120 0.51880 0.66541 1.00000
Er1 Er 0.85279 0.14721 0.33557 1.00000
Er2 Er 0.14721 0.85279 0.66443 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
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