Pr5SmHo6
Alexandria ALEXAlex-ID: agm006118972 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
PrSmHo4 Pr2Ho7 Pr
2023-09-03 21:02:42.249819
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118972).
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 agm006118972
data_agm006118972
_cell_length_a 5.14500
_cell_length_b 10.09319
_cell_length_c 9.55275
_cell_angle_alpha 121.89413
_cell_angle_beta 105.62301
_cell_angle_gamma 89.98899
_cell_volume 399.44301
_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 0.66578 0.16580 0.33161 1.00000
Pr2 Pr 0.33332 0.33334 0.66668 1.00000
Pr3 Pr 0.00000 0.50000 0.00000 1.00000
Pr4 Pr 0.66668 0.66666 0.33332 1.00000
Pr5 Pr 0.33422 0.83420 0.66839 1.00000
Ho1 Ho 0.83359 0.58421 0.66715 1.00000
Ho2 Ho 0.83359 0.08297 0.66715 1.00000
Ho3 Ho 0.50000 0.75106 1.00000 1.00000
Ho4 Ho 0.50000 0.24894 0.00000 1.00000
Ho5 Ho 0.16641 0.91703 0.33285 1.00000
Ho6 Ho 0.16641 0.41579 0.33285 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
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