PrSm6Er5
Alexandria ALEXAlex-ID: agm006118934 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_51_spg65
SmEr2 Sm2Er7 PrSm4
2023-09-18 04:07:40.220394
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118934).
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 agm006118934
data_agm006118934
_cell_length_a 5.07129
_cell_length_b 8.02360
_cell_length_c 10.11674
_cell_angle_alpha 90.00349
_cell_angle_beta 90.01102
_cell_angle_gamma 71.57741
_cell_volume 390.55355
_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 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.16703 0.66599 0.25197 1.00000
Sm2 Sm 0.16698 0.66599 0.74803 1.00000
Sm3 Sm 0.50000 1.00000 0.74716 1.00000
Sm4 Sm 0.50000 0.00000 0.25284 1.00000
Sm5 Sm 0.83302 0.33401 0.25197 1.00000
Sm6 Sm 0.83297 0.33401 0.74803 1.00000
Er1 Er 0.33339 0.33321 0.50000 1.00000
Er2 Er 0.66834 0.66331 1.00000 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Er4 Er 0.33166 0.33669 0.00000 1.00000
Er5 Er 0.66661 0.66679 0.50000 1.00000
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