Ac6Ni2HCl3
Alexandria ALEXAlex-ID: agm007753398 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_166_spg12
Ac2Ni AcH2 AcCl3 Ac
2024-03-16 09:49:34.170433
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007753398).
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 agm007753398
data_agm007753398
_cell_length_a 11.06712
_cell_length_b 11.06712
_cell_length_c 9.08394
_cell_angle_alpha 59.29135
_cell_angle_beta 59.29135
_cell_angle_gamma 22.03616
_cell_volume 356.49841
_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 0.64861 0.64861 0.29871 1.00000
Ac2 Ac 0.32281 0.32281 0.29698 1.00000
Ac3 Ac 0.35139 0.35139 0.70129 1.00000
Ac4 Ac 0.99479 0.99479 0.28333 1.00000
Ac5 Ac 0.00521 0.00521 0.71667 1.00000
Ac6 Ac 0.67719 0.67719 0.70302 1.00000
Ni1 Ni 0.16095 0.16095 0.50176 1.00000
Ni2 Ni 0.83905 0.83905 0.49824 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
Cl1 Cl 0.50000 0.50000 0.00000 1.00000
Cl2 Cl 0.17874 0.17874 0.98298 1.00000
Cl3 Cl 0.82126 0.82126 0.01702 1.00000
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