Cd4HgPb8
Alexandria ALEXAlex-ID: agm097370481 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1215_spg1
Cd Hg Pb
2025-06-20 21:54:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097370481).
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 agm097370481
data_agm097370481
_cell_length_a 8.91083
_cell_length_b 8.91083
_cell_length_c 5.60961
_cell_angle_alpha 79.80943
_cell_angle_beta 100.19057
_cell_angle_gamma 116.59850
_cell_volume 389.57218
_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
Cd1 Cd 0.08820 0.91180 0.11822 1.00000
Cd2 Cd 0.56491 0.43509 0.86711 1.00000
Cd3 Cd 0.46639 0.06658 0.04562 1.00000
Cd4 Cd 0.93342 0.53361 0.04562 1.00000
Hg1 Hg 0.97687 0.02313 0.62575 1.00000
Pb1 Pb 0.73538 0.66762 0.34853 1.00000
Pb2 Pb 0.33238 0.26462 0.34853 1.00000
Pb3 Pb 0.33978 0.66022 0.24709 1.00000
Pb4 Pb 0.85892 0.14108 0.10167 1.00000
Pb5 Pb 0.19877 0.80123 0.66198 1.00000
Pb6 Pb 0.72593 0.27407 0.52690 1.00000
Pb7 Pb 0.59400 0.81984 0.77679 1.00000
Pb8 Pb 0.18016 0.40600 0.77679 1.00000
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