Pr6Sb2As3Br
Alexandria ALEXAlex-ID: agm033196279 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_401_spg1
Pr4Sb3 Pr6As5Br Pr2AsBr2 PrSb
2025-02-26 16:35:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033196279).
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 agm033196279
data_agm033196279
_cell_length_a 9.88635
_cell_length_b 9.88635
_cell_length_c 8.87905
_cell_angle_alpha 76.06413
_cell_angle_beta 103.93587
_cell_angle_gamma 154.38802
_cell_volume 363.52250
_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 0.32605 0.67395 0.42485 1.00000
Pr2 Pr 0.66393 0.33607 0.09058 1.00000
Pr3 Pr 0.67395 0.32605 0.57515 1.00000
Pr4 Pr 0.99535 0.00465 0.77142 1.00000
Pr5 Pr 0.00465 0.99535 0.22858 1.00000
Pr6 Pr 0.33607 0.66393 0.90942 1.00000
Sb1 Sb 0.83559 0.16441 0.17189 1.00000
Sb2 Sb 0.16441 0.83559 0.82811 1.00000
As1 As 0.50000 0.50000 0.00000 1.00000
As2 As 0.83442 0.16558 0.66588 1.00000
As3 As 0.16558 0.83442 0.33412 1.00000
Br1 Br 0.50000 0.50000 0.50000 1.00000
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