Rh(PbAu)2
Alexandria ALEXAlex-ID: agm003010703 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_3_spg127
RhPb PbAu2
2017-07-20 16:04:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003010703).
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 agm003010703
data_agm003010703
_cell_length_a 7.22479
_cell_length_b 7.22479
_cell_length_c 4.33177
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 226.10770
_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
Pb1 Pb 0.17682 0.67682 0.50000 1.00000
Pb2 Pb 0.67682 0.82318 0.50000 1.00000
Pb3 Pb 0.82318 0.32318 0.50000 1.00000
Pb4 Pb 0.32318 0.17682 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.36208 0.86208 0.00000 1.00000
Au2 Au 0.86208 0.63792 0.00000 1.00000
Au3 Au 0.63792 0.13792 0.00000 1.00000
Au4 Au 0.13792 0.36208 0.00000 1.00000
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