P2H8Pb
Alexandria ALEXAlex-ID: agm005962318 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1131_spg2
PH4 Pb
2023-07-11 12:16:20.665237
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962318).
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 agm005962318
data_agm005962318
_cell_length_a 14.25946
_cell_length_b 3.96081
_cell_length_c 3.96853
_cell_angle_alpha 119.19068
_cell_angle_beta 61.32457
_cell_angle_gamma 105.48922
_cell_volume 171.51488
_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
P1 P 0.35481 0.81867 0.77415 1.00000
P2 P 0.64519 0.18133 0.22585 1.00000
H1 H 0.69963 0.99454 0.30632 1.00000
H2 H 0.25702 0.67182 0.01830 1.00000
H3 H 0.93533 0.65461 0.44206 1.00000
H4 H 0.06467 0.34539 0.55794 1.00000
H5 H 0.74298 0.32818 0.98170 1.00000
H6 H 0.30037 0.00546 0.69368 1.00000
H7 H 0.36939 0.47672 0.38870 1.00000
H8 H 0.63061 0.52328 0.61130 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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