CuAgH6Pb
Alexandria ALEXAlex-ID: agm007109280 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_709_spg1
Cu Ag H6Pb
2024-01-28 00:10:08.724727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007109280).
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 agm007109280
data_agm007109280
_cell_length_a 5.32786
_cell_length_b 5.88370
_cell_length_c 4.92193
_cell_angle_alpha 97.92019
_cell_angle_beta 92.49139
_cell_angle_gamma 128.90738
_cell_volume 117.21348
_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
Cu1 Cu 0.78300 0.06974 0.43633 1.00000
Ag1 Ag 0.17700 0.68722 0.55111 1.00000
H1 H 0.57837 0.02960 0.68732 1.00000
H2 H 0.81355 0.35322 0.33322 1.00000
H3 H 0.82533 0.91538 0.17080 1.00000
H4 H 0.43219 0.74852 0.29756 1.00000
H5 H 0.11107 0.26502 0.66966 1.00000
H6 H 0.00257 0.73712 0.82568 1.00000
Pb1 Pb 0.27682 0.19423 0.02842 1.00000
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