GaCu2H8Pb
Alexandria ALEXAlex-ID: agm007616165 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
CuH4 Ga4Cu9 Ga2Cu H6Pb
2024-10-15 11:07:43.817287
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007616165).
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 agm007616165
data_agm007616165
_cell_length_a 4.38894
_cell_length_b 4.53149
_cell_length_c 7.57813
_cell_angle_alpha 81.31264
_cell_angle_beta 70.61336
_cell_angle_gamma 63.78549
_cell_volume 127.54684
_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
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.87311 0.35767 0.24703 1.00000
Cu2 Cu 0.12689 0.64233 0.75297 1.00000
H1 H 0.95879 0.30463 0.43614 1.00000
H2 H 0.23382 0.02127 0.13349 1.00000
H3 H 0.04121 0.69537 0.56386 1.00000
H4 H 0.82650 0.73251 0.18966 1.00000
H5 H 0.17350 0.26749 0.81034 1.00000
H6 H 0.60808 0.34916 0.14249 1.00000
H7 H 0.39192 0.65084 0.85751 1.00000
H8 H 0.76618 0.97873 0.86651 1.00000
Pb1 Pb 0.50000 0.00000 0.50000 1.00000
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