La2H5Ir2
Alexandria ALEXAlex-ID: agm006281122 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1590_spg12
La2H5 LaH3Ir LaIr2
2024-02-21 11:52:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006281122).
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
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# CIF generated by HEAS from Alexandria entry agm006281122
data_agm006281122
_cell_length_a 4.42435
_cell_length_b 4.31816
_cell_length_c 6.51901
_cell_angle_alpha 85.98269
_cell_angle_beta 100.54613
_cell_angle_gamma 95.80116
_cell_volume 121.64581
_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
La1 La 0.68777 0.25207 0.27477 1.00000
La2 La 0.31223 0.74793 0.72523 1.00000
H1 H 0.52480 0.26663 0.90349 1.00000
H2 H 0.47520 0.73337 0.09651 1.00000
H3 H 0.93044 0.77375 0.38894 1.00000
H4 H 0.06956 0.22625 0.61106 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.18445 0.76674 0.22481 1.00000
Ir2 Ir 0.81555 0.23326 0.77519 1.00000
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