Pm2(H2Ir)3
Alexandria ALEXAlex-ID: agm006361908 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_740_spg12
PmH6Ir PmIr2
2024-02-24 15:39:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006361908).
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 agm006361908
data_agm006361908
_cell_length_a 4.79555
_cell_length_b 5.91299
_cell_length_c 5.84642
_cell_angle_alpha 101.72849
_cell_angle_beta 114.33396
_cell_angle_gamma 113.72062
_cell_volume 124.02328
_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 0.52190 0.71251 0.33117 1.00000
Pm2 Pm 0.47810 0.28749 0.66883 1.00000
H1 H 0.06139 0.71565 0.94616 1.00000
H2 H 0.60203 0.71619 0.94828 1.00000
H3 H 0.93861 0.28435 0.05384 1.00000
H4 H 0.39797 0.28381 0.05172 1.00000
H5 H 0.88714 0.20799 0.56355 1.00000
H6 H 0.11286 0.79201 0.43645 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.75135 0.24240 0.26244 1.00000
Ir3 Ir 0.24865 0.75760 0.73756 1.00000
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