Mg2H5Ir2
Alexandria ALEXAlex-ID: agm007079342 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_306_spg12
Mg3H5Ir2 MgIr3 Mg3(H6Ir)2
2024-08-14 02:38:20.904059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007079342).
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 agm007079342
data_agm007079342
_cell_length_a 4.66153
_cell_length_b 4.16650
_cell_length_c 5.01138
_cell_angle_alpha 70.89699
_cell_angle_beta 80.20859
_cell_angle_gamma 77.42694
_cell_volume 89.25014
_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 0.67801 0.37073 0.73878 1.00000
Mg2 Mg 0.32199 0.62927 0.26122 1.00000
H1 H 0.51454 0.85221 0.86466 1.00000
H2 H 0.48546 0.14779 0.13534 1.00000
H3 H 0.96860 0.75958 0.62262 1.00000
H4 H 0.03140 0.24042 0.37738 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.76033 0.03766 0.32647 1.00000
Ir2 Ir 0.23967 0.96234 0.67353 1.00000
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