Ac8In4Hg
Alexandria ALEXAlex-ID: agm097799765 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_791_spg191
Ac5In3 Ac2InHg Ac
2025-06-16 02:53:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097799765).
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 agm097799765
data_agm097799765
_cell_length_a 4.91750
_cell_length_b 10.40294
_cell_length_c 11.07838
_cell_angle_alpha 61.36376
_cell_angle_beta 90.02748
_cell_angle_gamma 90.03452
_cell_volume 497.40793
_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 0.19253 0.11302 0.21528 1.00000
Ac2 Ac 0.19238 0.69434 0.16140 1.00000
Ac3 Ac 0.19246 0.71390 0.65997 1.00000
Ac4 Ac 0.19339 0.14162 0.59268 1.00000
Ac5 Ac 0.69196 0.74078 0.39213 1.00000
Ac6 Ac 0.69272 0.38544 0.28688 1.00000
Ac7 Ac 0.69204 0.36109 0.82371 1.00000
Ac8 Ac 0.69256 0.81427 0.86868 1.00000
In1 In 0.19184 0.07088 0.91127 1.00000
In2 In 0.19175 0.48956 0.00253 1.00000
In3 In 0.19131 0.48329 0.52256 1.00000
In4 In 0.69297 0.00053 0.48837 1.00000
Hg1 Hg 0.69209 0.99128 0.07455 1.00000
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