SbH7Pb2
Alexandria ALEXAlex-ID: agm006205201 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_918_spg1
H6Pb SbH3 Pb
2023-12-29 23:42:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205201).
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 agm006205201
data_agm006205201
_cell_length_a 7.18009
_cell_length_b 6.73258
_cell_length_c 6.66428
_cell_angle_alpha 123.15006
_cell_angle_beta 39.96370
_cell_angle_gamma 120.31808
_cell_volume 171.02948
_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 0.50050 0.09896 0.91272 1.00000
Pb2 Pb 0.69850 0.81829 0.05561 1.00000
Sb1 Sb 0.14202 0.46343 0.97825 1.00000
H1 H 0.78446 0.52321 0.30461 1.00000
H2 H 0.76135 0.90970 0.72973 1.00000
H3 H 0.21539 0.79609 0.97187 1.00000
H4 H 0.97266 0.13845 0.00646 1.00000
H5 H 0.66552 0.97372 0.46305 1.00000
H6 H 0.36562 0.96764 0.35548 1.00000
H7 H 0.12637 0.36790 0.69025 1.00000
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