H4PtPb
Alexandria ALEXAlex-ID: agm007357938 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1120_spg12
H3Pt PtPb H6Pb
2024-03-15 18:40:30.899579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007357938).
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 agm007357938
data_agm007357938
_cell_length_a 4.66495
_cell_length_b 5.01793
_cell_length_c 6.80020
_cell_angle_alpha 65.12976
_cell_angle_beta 101.07813
_cell_angle_gamma 83.61126
_cell_volume 138.39113
_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
H1 H 0.86443 0.93154 0.67437 1.00000
H2 H 0.52102 0.33094 0.37187 1.00000
H3 H 0.19941 0.45635 0.93766 1.00000
H4 H 0.78171 0.22488 0.86982 1.00000
H5 H 0.13557 0.06846 0.32563 1.00000
H6 H 0.47898 0.66906 0.62813 1.00000
H7 H 0.80059 0.54365 0.06234 1.00000
H8 H 0.21829 0.77512 0.13018 1.00000
Pt1 Pt 0.82619 0.57390 0.77866 1.00000
Pt2 Pt 0.17381 0.42610 0.22134 1.00000
Pb1 Pb 0.72002 0.85502 0.29622 1.00000
Pb2 Pb 0.27998 0.14498 0.70378 1.00000
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