In2HPb
Alexandria ALEXAlex-ID: agm005803987 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8883_spg59
H6Pb In Pb
2023-07-10 11:55:47.572375
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803987).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005803987
data_agm005803987
_cell_length_a 3.57917
_cell_length_b 6.67831
_cell_length_c 9.60102
_cell_angle_alpha 90.60736
_cell_angle_beta 89.96331
_cell_angle_gamma 123.29553
_cell_volume 191.80577
_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
In1 In 0.99452 0.24507 0.80045 1.00000
In2 In 0.00548 0.75493 0.19955 1.00000
In3 In 0.49958 0.24990 0.52324 1.00000
In4 In 0.50042 0.75010 0.47676 1.00000
H1 H 0.00239 0.25206 0.00019 1.00000
H2 H 0.99761 0.74794 0.99981 1.00000
Pb1 Pb 0.00436 0.25428 0.21801 1.00000
Pb2 Pb 0.99564 0.74572 0.78199 1.00000
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