Pr4SbPbSe2
Alexandria ALEXAlex-ID: agm047018340 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_40_spg121
Pr5SbSe4 Pr4Sb3Se Pr5Pb3Se Pr3Pb4
2025-03-13 00:10:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047018340).
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 agm047018340
data_agm047018340
_cell_length_a 7.68096
_cell_length_b 7.68096
_cell_length_c 7.68096
_cell_angle_alpha 131.72595
_cell_angle_beta 131.72595
_cell_angle_gamma 70.66221
_cell_volume 247.27480
_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 0.00398 0.50398 0.50000 1.00000
Pr2 Pr 0.49602 0.99602 0.50000 1.00000
Pr3 Pr 0.75577 0.75577 0.00000 1.00000
Pr4 Pr 0.24423 0.24423 0.00000 1.00000
Sb1 Sb 0.75000 0.25000 0.50000 1.00000
Pb1 Pb 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.25000 0.75000 0.50000 1.00000
Se2 Se 0.00000 0.00000 0.00000 1.00000
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