SrPtPb
Alexandria ALEXAlex-ID: agm003604147 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_710_spg1
SrPtPb
2022-03-10 04:41:22.247258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003604147).
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 agm003604147
data_agm003604147
_cell_length_a 5.89619
_cell_length_b 6.22831
_cell_length_c 6.22761
_cell_angle_alpha 71.23329
_cell_angle_beta 61.75282
_cell_angle_gamma 61.75942
_cell_volume 176.06888
_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 0.96079 0.76771 0.95480 1.00000
Sr2 Sr 0.46078 0.26783 0.45469 1.00000
Pt1 Pt 0.46086 0.26771 0.95467 1.00000
Pt2 Pt 0.96085 0.26771 0.95467 1.00000
Pb1 Pb 0.21082 0.94607 0.27635 1.00000
Pb2 Pb 0.71042 0.58978 0.63347 1.00000
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