Ac8IrPd3
Alexandria ALEXAlex-ID: agm006024596 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_311_spg12
Ac7Pd3 Ac2Ir AcPd
2023-09-14 09:12:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006024596).
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 agm006024596
data_agm006024596
_cell_length_a 8.94468
_cell_length_b 8.95090
_cell_length_c 8.49126
_cell_angle_alpha 121.83814
_cell_angle_beta 89.99998
_cell_angle_gamma 119.97700
_cell_volume 467.09625
_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 0.25462 0.50924 0.76319 1.00000
Ac2 Ac 0.74538 0.49076 0.23681 1.00000
Ac3 Ac 0.24318 0.00224 0.76051 1.00000
Ac4 Ac 0.75907 0.00224 0.76051 1.00000
Ac5 Ac 0.75889 0.51778 0.76022 1.00000
Ac6 Ac 0.24111 0.48222 0.23978 1.00000
Ac7 Ac 0.24093 0.99776 0.23949 1.00000
Ac8 Ac 0.75682 0.99776 0.23949 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
Pd2 Pd 0.50000 0.50000 0.00000 1.00000
Pd3 Pd 0.00000 0.50000 0.00000 1.00000
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