Pr6SnSb5
Alexandria ALEXAlex-ID: agm006122003 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
PrSn PrSb
2023-09-08 14:21:50.004383
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006122003).
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 agm006122003
data_agm006122003
_cell_length_a 7.87748
_cell_length_b 7.89924
_cell_length_c 7.90054
_cell_angle_alpha 60.00546
_cell_angle_beta 80.37331
_cell_angle_gamma 70.45718
_cell_volume 401.24989
_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 0.74993 0.08322 0.33563 1.00000
Pr2 Pr 0.25007 0.58116 0.33563 1.00000
Pr3 Pr 0.25110 0.25175 0.00000 1.00000
Pr4 Pr 0.74890 0.74825 1.00000 1.00000
Pr5 Pr 0.74993 0.41884 0.66437 1.00000
Pr6 Pr 0.25007 0.91678 0.66437 1.00000
Sb1 Sb 0.50000 0.16705 0.66590 1.00000
Sb2 Sb 0.00000 0.33364 0.33272 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
Sb4 Sb 1.00000 0.66636 0.66728 1.00000
Sb5 Sb 0.50000 0.83295 0.33410 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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