Mg2H5Ir2
Alexandria ALEXAlex-ID: agm006138396 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_931_spg8
Mg3H5Ir2 MgIr3 Mg3(H6Ir)2
2023-07-26 21:28:27.116382
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006138396).
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 agm006138396
data_agm006138396
_cell_length_a 4.22977
_cell_length_b 7.29440
_cell_length_c 3.01939
_cell_angle_alpha 101.88818
_cell_angle_beta 89.91190
_cell_angle_gamma 80.02730
_cell_volume 89.71676
_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
Mg1 Mg 0.11691 0.12733 0.31203 1.00000
Mg2 Mg 0.24668 0.67934 0.58803 1.00000
H1 H 0.52526 0.88001 0.19030 1.00000
H2 H 0.76777 0.17252 0.83512 1.00000
H3 H 0.74617 0.70438 0.60300 1.00000
H4 H 0.61022 0.41016 0.45241 1.00000
H5 H 0.09166 0.51170 0.00439 1.00000
Ir1 Ir 0.42886 0.35720 0.92689 1.00000
Ir2 Ir 0.68905 0.93573 0.71751 1.00000
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