Pm8InIr2
Alexandria ALEXAlex-ID: agm003535964 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_295_spg12
Pm3Ir Pm4InIr Pm
2022-03-15 10:10:40.862895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003535964).
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 agm003535964
data_agm003535964
_cell_length_a 5.58311
_cell_length_b 8.15967
_cell_length_c 8.15967
_cell_angle_alpha 113.75784
_cell_angle_beta 97.22834
_cell_angle_gamma 97.22834
_cell_volume 331.08037
_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 0.93528 0.92877 0.67388 1.00000
Pm2 Pm 0.93528 0.67388 0.92877 1.00000
Pm3 Pm 0.30166 0.60952 0.60952 1.00000
Pm4 Pm 0.50000 0.74950 0.25050 1.00000
Pm5 Pm 0.50000 0.25050 0.74950 1.00000
Pm6 Pm 0.69834 0.39048 0.39048 1.00000
Pm7 Pm 0.06472 0.32612 0.07123 1.00000
Pm8 Pm 0.06472 0.07123 0.32612 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
Ir1 Ir 0.00000 0.30687 0.69313 1.00000
Ir2 Ir 0.00000 0.69313 0.30687 1.00000
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