Ac7HgPt5
Alexandria ALEXAlex-ID: agm006074085 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_117_spg36
Ac7HgPt5
2023-08-09 13:58:06.263322
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006074085).
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 agm006074085
data_agm006074085
_cell_length_a 4.42081
_cell_length_b 7.68723
_cell_length_c 26.29035
_cell_angle_alpha 90.03844
_cell_angle_beta 90.00000
_cell_angle_gamma 106.71087
_cell_volume 855.71323
_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 0.46622 0.93243 0.24994 1.00000
Ac2 Ac 0.53436 0.06872 0.75006 1.00000
Ac3 Ac 0.63542 0.27083 0.03539 1.00000
Ac4 Ac 0.36520 0.73040 0.96460 1.00000
Ac5 Ac 0.36529 0.73057 0.53538 1.00000
Ac6 Ac 0.63523 0.27046 0.46463 1.00000
Ac7 Ac 0.17548 0.35096 0.17099 1.00000
Ac8 Ac 0.82514 0.65027 0.82901 1.00000
Ac9 Ac 0.82552 0.65104 0.67090 1.00000
Ac10 Ac 0.17500 0.34999 0.32910 1.00000
Ac11 Ac 0.90868 0.81735 0.10475 1.00000
Ac12 Ac 0.09195 0.18391 0.89523 1.00000
Ac13 Ac 0.09223 0.18446 0.60481 1.00000
Ac14 Ac 0.90829 0.81657 0.39519 1.00000
Hg1 Hg 0.79150 0.58300 0.25028 1.00000
Hg2 Hg 0.20907 0.41815 0.74976 1.00000
Pt1 Pt 0.00031 0.00062 0.99999 1.00000
Pt2 Pt 0.72759 0.45518 0.92833 1.00000
Pt3 Pt 0.27303 0.54606 0.07166 1.00000
Pt4 Pt 0.54129 0.08258 0.35645 1.00000
Pt5 Pt 0.45924 0.91847 0.64356 1.00000
Pt6 Pt 0.00026 0.00051 0.50000 1.00000
Pt7 Pt 0.27278 0.54556 0.42839 1.00000
Pt8 Pt 0.72774 0.45548 0.57162 1.00000
Pt9 Pt 0.45890 0.91780 0.85642 1.00000
Pt10 Pt 0.54172 0.08344 0.14358 1.00000
