Pm3Al8Ir3
Alexandria ALEXAlex-ID: agm005688477 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Pm2Al3Ir Pm5Ir2 Pm2(Al3Ir)3
2023-06-29 09:19:44.534961
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688477).
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 agm005688477
data_agm005688477
_cell_length_a 4.45276
_cell_length_b 8.23759
_cell_length_c 8.40269
_cell_angle_alpha 64.45660
_cell_angle_beta 74.63542
_cell_angle_gamma 74.31963
_cell_volume 263.79959
_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
Pm1 Pm 0.28713 0.72971 0.69604 1.00000
Pm2 Pm 0.71287 0.27029 0.30396 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.12916 0.16026 0.58142 1.00000
Al2 Al 0.87084 0.83974 0.41858 1.00000
Al3 Al 0.86016 0.43600 0.84369 1.00000
Al4 Al 0.13984 0.56400 0.15631 1.00000
Al5 Al 0.51037 0.65811 0.32115 1.00000
Al6 Al 0.48963 0.34189 0.67885 1.00000
Al7 Al 0.35072 0.03163 0.26692 1.00000
Al8 Al 0.64928 0.96837 0.73308 1.00000
Ir1 Ir 0.00000 0.50000 0.50000 1.00000
Ir2 Ir 0.66875 0.66569 0.99680 1.00000
Ir3 Ir 0.33125 0.33431 0.00320 1.00000
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