Ac6Ni3Cl2
Alexandria ALEXAlex-ID: agm005605205 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_239_spg12
Ac2Ni AcNi AcCl3
2023-06-12 09:44:59.388091
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605205).
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 agm005605205
data_agm005605205
_cell_length_a 7.48892
_cell_length_b 7.50339
_cell_length_c 7.86791
_cell_angle_alpha 81.04444
_cell_angle_beta 71.82391
_cell_angle_gamma 60.06379
_cell_volume 364.01193
_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 0.40363 0.67440 0.78823 1.00000
Ac2 Ac 0.72900 0.00000 0.78638 1.00000
Ac3 Ac 0.07802 0.32560 0.78823 1.00000
Ac4 Ac 0.27100 0.00000 0.21362 1.00000
Ac5 Ac 0.59637 0.32560 0.21177 1.00000
Ac6 Ac 0.92198 0.67440 0.21177 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.33042 0.33916 0.00000 1.00000
Ni3 Ni 0.66958 0.66084 0.00000 1.00000
Cl1 Cl 0.16802 0.66397 0.50000 1.00000
Cl2 Cl 0.83198 0.33603 0.50000 1.00000
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