Sr5PbSe6
Alexandria ALEXAlex-ID: agm003676571 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Sr3PbSe4 SrSe
2022-04-10 02:58:31.170682
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676571).
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 agm003676571
data_agm003676571
_cell_length_a 7.69926
_cell_length_b 7.70330
_cell_length_c 7.70317
_cell_angle_alpha 59.99941
_cell_angle_beta 80.40601
_cell_angle_gamma 70.52931
_cell_volume 373.03422
_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
Sr1 Sr 0.50000 0.16520 0.66961 1.00000
Sr2 Sr 0.00000 0.33292 0.33416 1.00000
Sr3 Sr 0.50000 0.50000 0.00000 1.00000
Sr4 Sr 1.00000 0.66708 0.66584 1.00000
Sr5 Sr 0.50000 0.83480 0.33039 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.74959 0.08359 0.33356 1.00000
Se2 Se 0.25041 0.58285 0.33356 1.00000
Se3 Se 0.24966 0.25056 0.00000 1.00000
Se4 Se 0.75034 0.74944 1.00000 1.00000
Se5 Se 0.74959 0.41715 0.66644 1.00000
Se6 Se 0.25041 0.91641 0.66644 1.00000
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