Ac4Hg3N2
Alexandria ALEXAlex-ID: agm005644119 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_679_spg2
Ac2HgN AcHg2 AcN
2023-06-27 19:10:21.027129
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644119).
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 agm005644119
data_agm005644119
_cell_length_a 4.24954
_cell_length_b 7.78162
_cell_length_c 9.80458
_cell_angle_alpha 114.83281
_cell_angle_beta 90.00000
_cell_angle_gamma 105.84586
_cell_volume 280.60898
_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 0.69261 0.38523 0.12610 1.00000
Ac2 Ac 0.30739 0.61477 0.87390 1.00000
Ac3 Ac 0.86956 0.73912 0.57768 1.00000
Ac4 Ac 0.13044 0.26088 0.42232 1.00000
Hg1 Hg 0.59808 0.19617 0.71240 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
Hg3 Hg 0.40192 0.80383 0.28760 1.00000
N1 N 0.69945 0.39890 0.36510 1.00000
N2 N 0.30055 0.60110 0.63490 1.00000
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