Pr2SnSb
Alexandria ALEXAlex-ID: agm005755325 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_2711_spg63
PrSn PrSb
2023-07-13 13:50:11.619762
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755325).
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 agm005755325
data_agm005755325
_cell_length_a 4.47503
_cell_length_b 4.65665
_cell_length_c 12.64401
_cell_angle_alpha 100.61126
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 258.97807
_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 0.75000 0.68417 0.36833 1.00000
Pr2 Pr 0.25000 0.31583 0.63167 1.00000
Pr3 Pr 0.75000 0.93641 0.87283 1.00000
Pr4 Pr 0.25000 0.06359 0.12717 1.00000
Sn1 Sn 0.25000 0.45621 0.91243 1.00000
Sn2 Sn 0.75000 0.54379 0.08757 1.00000
Sb1 Sb 0.25000 0.18843 0.37686 1.00000
Sb2 Sb 0.75000 0.81157 0.62314 1.00000
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