Na7PbAu5
Alexandria ALEXAlex-ID: agm003679916 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_33_spg44
Na2Au NaPb NaAu
2022-04-10 07:18:50.799548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679916).
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 agm003679916
data_agm003679916
_cell_length_a 5.71240
_cell_length_b 7.92406
_cell_length_c 7.92406
_cell_angle_alpha 81.87397
_cell_angle_beta 68.87238
_cell_angle_gamma 68.87238
_cell_volume 312.05787
_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
Na1 Na 0.77863 0.22137 0.22137 1.00000
Na2 Na 0.39266 0.60734 0.60734 1.00000
Na3 Na 0.96870 0.33738 0.72522 1.00000
Na4 Na 0.96870 0.72522 0.33738 1.00000
Na5 Na 0.19809 0.30191 0.30191 1.00000
Na6 Na 0.47913 0.85912 0.18262 1.00000
Na7 Na 0.47913 0.18262 0.85912 1.00000
Pb1 Pb 0.09246 0.90754 0.90754 1.00000
Au1 Au 0.47270 0.01683 0.53298 1.00000
Au2 Au 0.97749 0.01683 0.53298 1.00000
Au3 Au 0.47270 0.53298 0.01683 1.00000
Au4 Au 0.97749 0.53298 0.01683 1.00000
Au5 Au 0.74214 0.75786 0.75786 1.00000
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