H9Pt3Pb2
Alexandria ALEXAlex-ID: agm006355397 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_490_spg2
H3Pt PtPb H6Pb
2024-01-30 13:52:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006355397).
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 agm006355397
data_agm006355397
_cell_length_a 6.63133
_cell_length_b 5.33106
_cell_length_c 11.09121
_cell_angle_alpha 122.33063
_cell_angle_beta 98.04731
_cell_angle_gamma 83.08016
_cell_volume 327.56180
_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 0.58152 0.32396 0.78424 1.00000
Pb2 Pb 0.41848 0.67605 0.21578 1.00000
Pb3 Pb 0.13876 0.79810 0.68675 1.00000
Pb4 Pb 0.86122 0.20189 0.31324 1.00000
H1 H 0.47012 0.84425 0.63720 1.00000
H2 H 0.52988 0.15575 0.36279 1.00000
H3 H 0.57451 0.81655 0.83557 1.00000
H4 H 0.42550 0.18345 0.16444 1.00000
H5 H 0.30101 0.77199 0.96697 1.00000
H6 H 0.69900 0.22802 0.03304 1.00000
H7 H 0.39453 0.33099 0.56352 1.00000
H8 H 0.60547 0.66902 0.43648 1.00000
H9 H 0.96776 0.55516 0.80474 1.00000
H10 H 0.03224 0.44482 0.19526 1.00000
H11 H 0.32984 0.25257 0.96599 1.00000
H12 H 0.67016 0.74743 0.03401 1.00000
H13 H 0.72771 0.46924 0.59772 1.00000
H14 H 0.27229 0.53076 0.40227 1.00000
H15 H 0.84383 0.94836 0.47300 1.00000
H16 H 0.15617 0.05163 0.52700 1.00000
H17 H 0.96755 0.29334 0.94071 1.00000
H18 H 0.03245 0.70668 0.05930 1.00000
Pt1 Pt 0.50000 0.00001 0.00001 1.00000
Pt2 Pt 0.50000 0.49997 0.49999 1.00000
Pt3 Pt 0.93973 0.26380 0.62802 1.00000
Pt4 Pt 0.06027 0.73619 0.37197 1.00000
Pt5 Pt 0.16343 0.44994 0.90735 1.00000
Pt6 Pt 0.83657 0.55007 0.09266 1.00000
