Mg4H3Ir2
Alexandria ALEXAlex-ID: agm006138570 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1399_spg5
Mg2H2Ir Mg3Ir MgIr
2023-07-27 09:15:43.602828
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006138570).
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 agm006138570
data_agm006138570
_cell_length_a 4.68853
_cell_length_b 4.59319
_cell_length_c 7.41120
_cell_angle_alpha 67.31352
_cell_angle_beta 89.99971
_cell_angle_gamma 59.29914
_cell_volume 122.65330
_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 0.28683 0.64913 0.15625 1.00000
Mg2 Mg 0.44271 0.40275 0.65886 1.00000
Mg3 Mg 0.97580 0.27132 0.41647 1.00000
Mg4 Mg 0.88547 0.51713 0.91362 1.00000
H1 H 0.46398 0.87796 0.66985 1.00000
H2 H 0.38148 0.04252 0.90232 1.00000
H3 H 0.86984 0.96072 0.28595 1.00000
Ir1 Ir 0.59537 0.02280 0.08757 1.00000
Ir2 Ir 0.65800 0.89778 0.48456 1.00000
Get direct link