Y3Mg7Ir4
Alexandria ALEXAlex-ID: agm005697391 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
Mg44Ir7 YMgIr Mg3Ir
2023-06-29 16:54:02.291353
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697391).
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 agm005697391
data_agm005697391
_cell_length_a 4.17739
_cell_length_b 8.28692
_cell_length_c 9.12537
_cell_angle_alpha 73.66839
_cell_angle_beta 76.76835
_cell_angle_gamma 75.40131
_cell_volume 289.08802
_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
Y1 Y 0.29888 0.18149 0.22074 1.00000
Y2 Y 0.70112 0.81851 0.77926 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.32067 0.84792 0.51074 1.00000
Mg2 Mg 0.48767 0.23714 0.78752 1.00000
Mg3 Mg 0.82917 0.41116 0.93050 1.00000
Mg4 Mg 0.67933 0.15208 0.48926 1.00000
Mg5 Mg 0.17083 0.58884 0.06950 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.51233 0.76286 0.21248 1.00000
Ir1 Ir 0.66307 0.42862 0.24524 1.00000
Ir2 Ir 0.33693 0.57138 0.75476 1.00000
Ir3 Ir 0.88978 0.91192 0.30853 1.00000
Ir4 Ir 0.11022 0.08808 0.69147 1.00000
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