Y(BRu)2
Alexandria ALEXAlex-ID: agm005286471 · Space group: P4_2/nnm (#134)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5794_spg134
Y(BRu)2
2024-10-03 21:36:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286471).
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 agm005286471
data_agm005286471
_cell_length_a 9.18011
_cell_length_b 9.18011
_cell_length_c 9.77584
_cell_angle_alpha 118.00381
_cell_angle_beta 118.00381
_cell_angle_gamma 90.00000
_cell_volume 616.00998
_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 0.12500 0.37500 0.25000 1.00000
Y2 Y 0.12500 0.87500 0.25000 1.00000
Y3 Y 0.12500 0.87500 0.75000 1.00000
Y4 Y 0.62500 0.37500 0.25000 1.00000
Y5 Y 0.62500 0.87500 0.75000 1.00000
Y6 Y 0.62500 0.87500 0.25000 1.00000
Y7 Y 0.62500 0.37500 0.75000 1.00000
Y8 Y 0.12500 0.37500 0.75000 1.00000
B1 B 0.29268 0.39789 0.58526 1.00000
B2 B 0.29258 0.18737 0.58526 1.00000
B3 B 0.43737 0.04268 0.08526 1.00000
B4 B 0.45732 0.06263 0.91474 1.00000
B5 B 0.95732 0.35211 0.91474 1.00000
B6 B 0.64789 0.04258 0.08526 1.00000
B7 B 0.45742 0.85211 0.91474 1.00000
B8 B 0.95742 0.56263 0.91474 1.00000
B9 B 0.31263 0.20742 0.41474 1.00000
B10 B 0.81263 0.70732 0.41474 1.00000
B11 B 0.10211 0.20732 0.41474 1.00000
B12 B 0.60211 0.70742 0.41474 1.00000
B13 B 0.79268 0.68737 0.58526 1.00000
B14 B 0.79258 0.89789 0.58526 1.00000
B15 B 0.14789 0.54268 0.08526 1.00000
B16 B 0.93737 0.54258 0.08526 1.00000
Ru1 Ru 0.53704 0.18944 0.37884 1.00000
Ru2 Ru 0.84180 0.18940 0.37884 1.00000
Ru3 Ru 0.43940 0.28704 0.87884 1.00000
Ru4 Ru 0.21296 0.06060 0.12116 1.00000
Ru5 Ru 0.71296 0.56056 0.12116 1.00000
Ru6 Ru 0.43944 0.59180 0.87884 1.00000
Ru7 Ru 0.90820 0.06056 0.12116 1.00000
Ru8 Ru 0.40820 0.56060 0.12116 1.00000
Ru9 Ru 0.31060 0.65820 0.62116 1.00000
Ru10 Ru 0.81060 0.46296 0.62116 1.00000
Ru11 Ru 0.31056 0.96296 0.62116 1.00000
Ru12 Ru 0.81056 0.15820 0.62116 1.00000
Ru13 Ru 0.03704 0.68940 0.37884 1.00000
Ru14 Ru 0.34180 0.68944 0.37884 1.00000
Ru15 Ru 0.93944 0.78704 0.87884 1.00000
Ru16 Ru 0.93940 0.09180 0.87884 1.00000
