Ac5Pa2Ir5
Alexandria ALEXAlex-ID: agm005662406 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_31_spg12
AcPaIr2 Ac2Ir PaIr
2023-06-19 01:07:16.346497
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662406).
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 agm005662406
data_agm005662406
_cell_length_a 4.21842
_cell_length_b 7.38199
_cell_length_c 12.58427
_cell_angle_alpha 70.98293
_cell_angle_beta 80.35127
_cell_angle_gamma 73.39786
_cell_volume 353.84288
_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 0.50000 0.50000 0.50000 1.00000
Ac2 Ac 0.34666 0.26511 0.04157 1.00000
Ac3 Ac 0.25289 0.14067 0.35355 1.00000
Ac4 Ac 0.74711 0.85933 0.64645 1.00000
Ac5 Ac 0.65334 0.73489 0.95843 1.00000
Pa1 Pa 0.97168 0.27264 0.78399 1.00000
Pa2 Pa 0.02832 0.72736 0.21601 1.00000
Ir1 Ir 0.88840 0.81915 0.40405 1.00000
Ir2 Ir 0.34810 0.51636 0.78745 1.00000
Ir3 Ir 0.65190 0.48364 0.21255 1.00000
Ir4 Ir 0.11160 0.18085 0.59595 1.00000
Ir5 Ir 0.00000 0.00000 0.00000 1.00000
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