Y6MgRu2
Alexandria ALEXAlex-ID: agm005696618 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1464_spg71
YMg Y5Ru2
2023-07-08 17:38:30.334536
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696618).
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 agm005696618
data_agm005696618
_cell_length_a 8.55340
_cell_length_b 8.55339
_cell_length_c 8.55340
_cell_angle_alpha 104.10896
_cell_angle_beta 112.98322
_cell_angle_gamma 111.45508
_cell_volume 478.49988
_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 0.53257 0.81680 0.71577 1.00000
Y2 Y 0.46743 0.18320 0.28423 1.00000
Y3 Y 0.10103 0.81680 0.28423 1.00000
Y4 Y 0.89897 0.18320 0.71577 1.00000
Y5 Y 0.79634 0.03667 0.24033 1.00000
Y6 Y 0.20366 0.96333 0.75967 1.00000
Y7 Y 0.20366 0.44399 0.24033 1.00000
Y8 Y 0.79634 0.55601 0.75967 1.00000
Y9 Y 0.68512 0.32602 0.01114 1.00000
Y10 Y 0.31488 0.67398 0.98886 1.00000
Y11 Y 0.31488 0.32602 0.64090 1.00000
Y12 Y 0.68512 0.67398 0.35910 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.12392 0.62392 1.00000
Ru2 Ru 0.50000 0.87608 0.37608 1.00000
Ru3 Ru 0.68214 0.68214 1.00000 1.00000
Ru4 Ru 0.31786 0.31786 0.00000 1.00000
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