Pr2Sb
Alexandria ALEXAlex-ID: agm002380992 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_25_spg63
Pr5Sb3 Pr
2019-05-16 19:06:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002380992).
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
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# CIF generated by HEAS from Alexandria entry agm002380992
data_agm002380992
_cell_length_a 4.44432
_cell_length_b 5.00153
_cell_length_c 11.77758
_cell_angle_alpha 115.12974
_cell_angle_beta 124.00466
_cell_angle_gamma 89.99979
_cell_volume 186.38863
_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 0.85720 0.68450 0.34598 1.00000
Pr2 Pr 0.83080 0.32977 0.99126 1.00000
Pr3 Pr 0.29909 0.47180 0.63328 1.00000
Pr4 Pr 0.32550 0.82653 0.98801 1.00000
Sb1 Sb 0.88507 0.03057 0.69206 1.00000
Sb2 Sb 0.27123 0.12573 0.28721 1.00000
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