Y8IrPt2
Alexandria ALEXAlex-ID: agm006010897 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_21_spg8
Y3Ir Y3Pt Y2Pt
2023-10-01 20:13:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010897).
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 agm006010897
data_agm006010897
_cell_length_a 6.04547
_cell_length_b 7.59675
_cell_length_c 7.59675
_cell_angle_alpha 111.97640
_cell_angle_beta 100.83813
_cell_angle_gamma 100.83813
_cell_volume 304.70860
_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 0.58009 0.34003 0.08152 1.00000
Y2 Y 0.58009 0.08152 0.34003 1.00000
Y3 Y 0.16674 0.35672 0.35672 1.00000
Y4 Y 0.98819 0.21114 0.78956 1.00000
Y5 Y 0.98819 0.78956 0.21114 1.00000
Y6 Y 0.80757 0.64751 0.64751 1.00000
Y7 Y 0.37510 0.92600 0.66825 1.00000
Y8 Y 0.37510 0.66825 0.92600 1.00000
Ir1 Ir 0.16416 0.00037 0.00037 1.00000
Pt1 Pt 0.48722 0.69219 0.32064 1.00000
Pt2 Pt 0.48722 0.32064 0.69219 1.00000
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