Ac2InNiAu6
Alexandria ALEXAlex-ID: agm004931389 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_393_spg12
InNi AcAu3
2022-07-27 19:11:22.726133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004931389).
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
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# CIF generated by HEAS from Alexandria entry agm004931389
data_agm004931389
_cell_length_a 6.96503
_cell_length_b 7.48411
_cell_length_c 6.95802
_cell_angle_alpha 79.04577
_cell_angle_beta 46.66382
_cell_angle_gamma 95.74714
_cell_volume 245.12984
_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 0.72883 0.20292 0.52599 1.00000
Ac2 Ac 0.27118 0.79708 0.47400 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 1.00000 1.00000 0.00000 1.00000
Au1 Au 0.22252 0.21603 0.51167 1.00000
Au2 Au 0.76537 0.60770 0.15674 1.00000
Au3 Au 0.27416 0.78459 0.99045 1.00000
Au4 Au 0.72584 0.21541 0.00956 1.00000
Au5 Au 0.23463 0.39230 0.84326 1.00000
Au6 Au 0.77747 0.78396 0.48833 1.00000
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