PrSm2(ThSb2)3
Alexandria ALEXAlex-ID: agm042581920 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
SmThSb2 PrThSb2
2024-12-23 12:40:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042581920).
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 agm042581920
data_agm042581920
_cell_length_a 10.06983
_cell_length_b 10.06983
_cell_length_c 8.99775
_cell_angle_alpha 77.08879
_cell_angle_beta 102.91121
_cell_angle_gamma 154.16824
_cell_volume 386.96696
_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 0.50000 1.00000
Sm1 Sm 0.16662 0.83338 0.33557 1.00000
Sm2 Sm 0.83338 0.16662 0.66443 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.83368 0.16632 0.16902 1.00000
Th3 Th 0.16632 0.83368 0.83098 1.00000
Sb1 Sb 0.33196 0.66804 0.41703 1.00000
Sb2 Sb 0.33311 0.66689 0.91483 1.00000
Sb3 Sb 0.66804 0.33196 0.58297 1.00000
Sb4 Sb 0.99937 0.00063 0.75180 1.00000
Sb5 Sb 0.00063 0.99937 0.24820 1.00000
Sb6 Sb 0.66689 0.33311 0.08517 1.00000
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