Y3Cr2Ir7
Alexandria ALEXAlex-ID: agm024890215 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
CrIr Cr YIr2
2025-05-15 23:43:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024890215).
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 agm024890215
data_agm024890215
_cell_length_a 8.98394
_cell_length_b 8.98394
_cell_length_c 8.98394
_cell_angle_alpha 34.82710
_cell_angle_beta 34.82710
_cell_angle_gamma 34.82710
_cell_volume 211.10249
_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 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.13986 0.13986 0.13986 1.00000
Y3 Y 0.86014 0.86014 0.86014 1.00000
Cr1 Cr 0.33448 0.33448 0.33448 1.00000
Cr2 Cr 0.66552 0.66552 0.66552 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
Ir2 Ir 0.07745 0.58131 0.58131 1.00000
Ir3 Ir 0.58131 0.58131 0.07745 1.00000
Ir4 Ir 0.58131 0.07745 0.58131 1.00000
Ir5 Ir 0.92255 0.41869 0.41869 1.00000
Ir6 Ir 0.41869 0.92255 0.41869 1.00000
Ir7 Ir 0.41869 0.41869 0.92255 1.00000
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