CsPdPb
Alexandria ALEXAlex-ID: agm016889844 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_12759_spg5
CsPdPb
2024-09-13 12:39:30.639385
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016889844).
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 agm016889844
data_agm016889844
_cell_length_a 4.87734
_cell_length_b 5.24742
_cell_length_c 8.59354
_cell_angle_alpha 94.75856
_cell_angle_beta 90.10127
_cell_angle_gamma 89.86562
_cell_volume 219.17977
_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
Cs1 Cs 0.25193 0.23980 0.33264 1.00000
Cs2 Cs 0.74807 0.76020 0.66736 1.00000
Pd1 Pd 0.74952 0.16886 0.00042 1.00000
Pd2 Pd 0.25048 0.83114 0.99958 1.00000
Pb1 Pb 0.75113 0.69127 0.12627 1.00000
Pb2 Pb 0.24887 0.30873 0.87373 1.00000
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