PrSmEr4
Alexandria ALEXAlex-ID: agm005750232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1110_spg12
Pr2SmEr6 Pr(SmEr3)2
2023-08-05 03:31:47.018801
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005750232).
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 agm005750232
data_agm005750232
_cell_length_a 5.01543
_cell_length_b 7.96744
_cell_length_c 11.27439
_cell_angle_alpha 148.08315
_cell_angle_beta 89.96285
_cell_angle_gamma 108.38164
_cell_volume 191.36245
_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 0.99999 0.99999 1.00000 1.00000
Sm1 Sm 0.49998 0.99998 0.49998 1.00000
Er1 Er 0.83430 0.66921 0.50200 1.00000
Er2 Er 0.16568 0.33076 0.49798 1.00000
Er3 Er 0.33318 0.66682 0.00184 1.00000
Er4 Er 0.66679 0.33314 0.99814 1.00000
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