Mg2Ir
Alexandria ALEXAlex-ID: agm005458196 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2622_spg8
Mg3Ir MgIr
2023-03-21 11:05:14.112213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005458196).
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 agm005458196
data_agm005458196
_cell_length_a 5.68058
_cell_length_b 5.68058
_cell_length_c 6.69833
_cell_angle_alpha 71.38189
_cell_angle_beta 71.38189
_cell_angle_gamma 31.15787
_cell_volume 105.51376
_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 0.63883 0.63883 0.22251 1.00000
Mg2 Mg 0.93808 0.93808 0.52305 1.00000
Mg3 Mg 0.63894 0.63894 0.72199 1.00000
Mg4 Mg 0.33940 0.33940 0.92175 1.00000
Ir1 Ir 0.98428 0.98428 0.08308 1.00000
Ir2 Ir 0.29380 0.29380 0.36096 1.00000
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