Sr3Pd4Pb7
Alexandria ALEXAlex-ID: agm005704707 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
PdPb SrPdPb2
2023-06-29 17:53:40.579165
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704707).
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 agm005704707
data_agm005704707
_cell_length_a 4.77819
_cell_length_b 9.28842
_cell_length_c 9.57059
_cell_angle_alpha 68.17718
_cell_angle_beta 75.54446
_cell_angle_gamma 75.09531
_cell_volume 375.39628
_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 0.31391 0.17778 0.19441 1.00000
Sr2 Sr 0.68609 0.82222 0.80559 1.00000
Sr3 Sr 0.00000 0.50000 0.50000 1.00000
Pd1 Pd 0.66162 0.45339 0.22337 1.00000
Pd2 Pd 0.33838 0.54661 0.77663 1.00000
Pd3 Pd 0.87799 0.89580 0.34821 1.00000
Pd4 Pd 0.12201 0.10420 0.65179 1.00000
Pb1 Pb 0.31418 0.83390 0.53774 1.00000
Pb2 Pb 0.49698 0.22906 0.77698 1.00000
Pb3 Pb 0.83467 0.40455 0.92611 1.00000
Pb4 Pb 0.68582 0.16610 0.46226 1.00000
Pb5 Pb 0.16533 0.59545 0.07389 1.00000
Pb6 Pb 0.00000 0.00000 0.00000 1.00000
Pb7 Pb 0.50302 0.77094 0.22302 1.00000
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