Zr3(PbAu)2
Alexandria ALEXAlex-ID: agm009659732 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_252_spg12
Zr5Pb3Au ZrAu2 Pb
2024-04-21 04:12:48.778881
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009659732).
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 agm009659732
data_agm009659732
_cell_length_a 6.93656
_cell_length_b 6.93656
_cell_length_c 7.89662
_cell_angle_alpha 67.81981
_cell_angle_beta 67.81981
_cell_angle_gamma 27.18453
_cell_volume 159.95647
_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
Zr1 Zr 0.50000 0.50000 0.50000 1.00000
Zr2 Zr 0.36230 0.36230 0.94741 1.00000
Zr3 Zr 0.63770 0.63770 0.05259 1.00000
Pb1 Pb 0.09330 0.09330 0.74687 1.00000
Pb2 Pb 0.90670 0.90670 0.25313 1.00000
Au1 Au 0.19065 0.19065 0.32276 1.00000
Au2 Au 0.80935 0.80935 0.67724 1.00000
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