PrSmHo4
Alexandria ALEXAlex-ID: agm070080449 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_634_spg8
PrSmHo4
2025-04-16 17:28:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070080449).
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 agm070080449
data_agm070080449
_cell_length_a 7.98260
_cell_length_b 7.98260
_cell_length_c 7.16438
_cell_angle_alpha 77.03700
_cell_angle_beta 102.96300
_cell_angle_gamma 154.14750
_cell_volume 193.72746
_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 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.66843 0.33157 0.33515 1.00000
Ho2 Ho 0.33157 0.66843 0.66485 1.00000
Ho3 Ho 0.66823 0.33177 0.83323 1.00000
Ho4 Ho 0.33177 0.66823 0.16677 1.00000
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