Ac2NiIr2
Alexandria ALEXAlex-ID: agm003400643 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2_spg71
AcNiIr AcIr
2022-02-11 07:49:40.997887
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003400643).
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 agm003400643
data_agm003400643
_cell_length_a 4.34908
_cell_length_b 5.82950
_cell_length_c 5.81420
_cell_angle_alpha 120.08707
_cell_angle_beta 111.96285
_cell_angle_gamma 90.00000
_cell_volume 115.01570
_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 0.80574 0.30574 0.61149 1.00000
Ac2 Ac 0.19426 0.69426 0.38851 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.50000 0.76105 0.00000 1.00000
Ir2 Ir 0.50000 0.23895 1.00000 1.00000
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