PrSm2(HoSb2)3
Alexandria ALEXAlex-ID: agm034952389 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
SmHo2Sb3 Pr3SmSb4 PrSm3Sb4
2025-01-21 20:33:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034952389).
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 agm034952389
data_agm034952389
_cell_length_a 9.90671
_cell_length_b 9.90671
_cell_length_c 8.86715
_cell_angle_alpha 77.14255
_cell_angle_beta 102.85745
_cell_angle_gamma 154.11940
_cell_volume 369.82636
_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 0.50000 0.50000 0.00000 1.00000
Sm1 Sm 0.16709 0.83291 0.33367 1.00000
Sm2 Sm 0.83291 0.16709 0.66633 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.16615 0.83385 0.83269 1.00000
Ho3 Ho 0.83385 0.16615 0.16731 1.00000
Sb1 Sb 0.66969 0.33031 0.08022 1.00000
Sb2 Sb 0.33492 0.66508 0.41309 1.00000
Sb3 Sb 0.33031 0.66969 0.91978 1.00000
Sb4 Sb 0.00121 0.99879 0.74233 1.00000
Sb5 Sb 0.99879 0.00121 0.25767 1.00000
Sb6 Sb 0.66508 0.33492 0.58691 1.00000
Get direct link