Pm(H3Pb)2
Alexandria ALEXAlex-ID: agm098009991 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_587_spg99
H6Pb PmH3 Pb
2025-04-29 17:48:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098009991).
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 agm098009991
data_agm098009991
_cell_length_a 4.14116
_cell_length_b 4.16913
_cell_length_c 7.98265
_cell_angle_alpha 80.65807
_cell_angle_beta 97.27654
_cell_angle_gamma 83.37635
_cell_volume 133.59083
_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
Pm1 Pm 0.56901 0.42738 0.79130 1.00000
H1 H 0.52280 0.58071 0.04624 1.00000
H2 H 0.51394 0.57743 0.50607 1.00000
H3 H 0.48408 0.96464 0.70281 1.00000
H4 H 0.43505 0.02098 0.22486 1.00000
H5 H 0.03391 0.51982 0.69770 1.00000
H6 H 0.00974 0.61752 0.27244 1.00000
Pb1 Pb 0.11603 0.85810 0.05866 1.00000
Pb2 Pb 0.81543 0.93343 0.44992 1.00000
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