Mg(HIr)3
Alexandria ALEXAlex-ID: agm006138752 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_593_spg6
MgIr7 Mg3(H6Ir)2 Ir
2023-07-27 09:16:05.372701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006138752).
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 agm006138752
data_agm006138752
_cell_length_a 2.92036
_cell_length_b 4.97686
_cell_length_c 5.03105
_cell_angle_alpha 71.91318
_cell_angle_beta 89.98167
_cell_angle_gamma 89.99176
_cell_volume 69.50924
_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 0.10598 0.70208 0.77590 1.00000
H1 H 0.60623 0.95600 0.43615 1.00000
H2 H 0.10642 0.86556 0.12902 1.00000
H3 H 0.10617 0.28651 0.92543 1.00000
Ir1 Ir 0.60625 0.19948 0.76423 1.00000
Ir2 Ir 0.60643 0.67503 0.28577 1.00000
Ir3 Ir 0.10662 0.20569 0.29955 1.00000
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