CuH4Pb
Alexandria ALEXAlex-ID: agm007358796 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
H6Pb Cu Pb
2025-06-13 13:13:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007358796).
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 agm007358796
data_agm007358796
_cell_length_a 6.39677
_cell_length_b 6.39677
_cell_length_c 4.94796
_cell_angle_alpha 83.41924
_cell_angle_beta 96.58076
_cell_angle_gamma 63.73202
_cell_volume 177.22694
_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 0.00312 0.00312 0.75000 1.00000
Cu2 Cu 0.99688 0.99688 0.25000 1.00000
H1 H 0.29654 0.65013 0.34540 1.00000
H2 H 0.90311 0.89922 0.99358 1.00000
H3 H 0.65013 0.29654 0.15460 1.00000
H4 H 0.89922 0.90311 0.50642 1.00000
H5 H 0.10078 0.09689 0.49358 1.00000
H6 H 0.34987 0.70346 0.84540 1.00000
H7 H 0.09689 0.10078 0.00642 1.00000
H8 H 0.70346 0.34987 0.65460 1.00000
Pb1 Pb 0.60775 0.60775 0.25000 1.00000
Pb2 Pb 0.39225 0.39225 0.75000 1.00000
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