Ac3Hg3Pb
Alexandria ALEXAlex-ID: agm005994008 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_607_spg12
Ac5Pb4 Ac3Hg4 AcHg2
2023-08-07 22:44:40.674982
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994008).
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 agm005994008
data_agm005994008
_cell_length_a 7.65287
_cell_length_b 7.65296
_cell_length_c 8.14521
_cell_angle_alpha 90.18173
_cell_angle_beta 90.18299
_cell_angle_gamma 89.77062
_cell_volume 477.03264
_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
Ac1 Ac 0.07977 0.07978 0.74211 1.00000
Ac2 Ac 0.43902 0.05414 0.25685 1.00000
Ac3 Ac 0.05417 0.43904 0.25684 1.00000
Ac4 Ac 0.56098 0.94586 0.74315 1.00000
Ac5 Ac 0.94583 0.56096 0.74316 1.00000
Ac6 Ac 0.92023 0.92022 0.25789 1.00000
Hg1 Hg 0.35890 0.35889 0.56053 1.00000
Hg2 Hg 0.24778 0.75220 0.50003 1.00000
Hg3 Hg 0.75222 0.24780 0.49997 1.00000
Hg4 Hg 0.23564 0.76435 0.99998 1.00000
Hg5 Hg 0.76436 0.23565 0.00002 1.00000
Hg6 Hg 0.64110 0.64111 0.43947 1.00000
Pb1 Pb 0.35572 0.35570 0.94629 1.00000
Pb2 Pb 0.64428 0.64430 0.05371 1.00000
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