La8HgPb4
Alexandria ALEXAlex-ID: agm097654733 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1160_spg6
La5Pb3 La3Pb LaHg
2025-06-16 09:46:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097654733).
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 agm097654733
data_agm097654733
_cell_length_a 4.61232
_cell_length_b 9.92914
_cell_length_c 10.89951
_cell_angle_alpha 62.93820
_cell_angle_beta 91.57426
_cell_angle_gamma 89.92678
_cell_volume 444.28723
_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
La1 La 0.20451 0.19926 0.13675 1.00000
La2 La 0.20422 0.66441 0.13585 1.00000
La3 La 0.19094 0.62581 0.74820 1.00000
La4 La 0.32720 0.19307 0.61373 1.00000
La5 La 0.62279 0.78654 0.42743 1.00000
La6 La 0.70679 0.31473 0.37149 1.00000
La7 La 0.69461 0.32419 0.77292 1.00000
La8 La 0.69582 0.90220 0.77422 1.00000
Hg1 Hg 0.71107 0.94002 0.11849 1.00000
Pb1 Pb 0.19069 0.03824 0.92465 1.00000
Pb2 Pb 0.70562 0.49411 0.01092 1.00000
Pb3 Pb 0.12396 0.53141 0.48236 1.00000
Pb4 Pb 0.12177 0.98601 0.48297 1.00000
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