Zn2H7Pb
Alexandria ALEXAlex-ID: agm006201982 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_927_spg1
H6Pb ZnH2 Pb
2023-12-29 01:49:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201982).
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 agm006201982
data_agm006201982
_cell_length_a 7.02908
_cell_length_b 7.13734
_cell_length_c 4.90645
_cell_angle_alpha 133.78520
_cell_angle_beta 47.58678
_cell_angle_gamma 111.75743
_cell_volume 129.05346
_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 0.09814 0.52337 0.01784 1.00000
H1 H 0.17538 0.90498 0.24038 1.00000
H2 H 0.72396 0.62367 0.68810 1.00000
H3 H 0.62209 0.16941 0.03179 1.00000
H4 H 0.89491 0.06110 0.17801 1.00000
H5 H 0.42266 0.05506 0.66706 1.00000
H6 H 0.66185 0.19608 0.16422 1.00000
H7 H 0.77257 0.63353 0.18138 1.00000
Zn1 Zn 0.15612 0.06515 0.12785 1.00000
Zn2 Zn 0.70471 0.82505 0.17155 1.00000
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