AcZnPIr6
Alexandria ALEXAlex-ID: agm005073780 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_132_spg74
AcPIr3 ZnIr Ir
2022-08-10 00:44:32.679502
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005073780).
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 agm005073780
data_agm005073780
_cell_length_a 6.02814
_cell_length_b 9.35236
_cell_length_c 8.06815
_cell_angle_alpha 125.42137
_cell_angle_beta 111.93634
_cell_angle_gamma 90.00000
_cell_volume 329.42768
_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 0.82195 0.57195 0.64389 1.00000
Ac2 Ac 0.17805 0.42805 0.35611 1.00000
Zn1 Zn 0.50000 0.00000 0.50000 1.00000
Zn2 Zn 0.00000 0.00000 0.50000 1.00000
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.50000 0.00000 0.00000 1.00000
Ir1 Ir 0.43720 0.68720 0.87441 1.00000
Ir2 Ir 0.91839 0.16839 0.83678 1.00000
Ir3 Ir 0.89953 0.11071 0.26280 1.00000
Ir4 Ir 0.36328 0.65209 0.26280 1.00000
Ir5 Ir 0.36328 0.11071 0.26280 1.00000
Ir6 Ir 0.89953 0.65209 0.26280 1.00000
Ir7 Ir 0.56280 0.31280 0.12559 1.00000
Ir8 Ir 0.08161 0.83161 0.16322 1.00000
Ir9 Ir 0.10047 0.88929 0.73720 1.00000
Ir10 Ir 0.63672 0.34791 0.73720 1.00000
Ir11 Ir 0.63672 0.88929 0.73720 1.00000
Ir12 Ir 0.10047 0.34791 0.73720 1.00000
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