Y(P2Ru3)2
Alexandria ALEXAlex-ID: agm030310146 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_196_spg38
Y2P7Ru12 Y(PRu)2 P2Ru
2024-09-21 21:13:29.056127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030310146).
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 agm030310146
data_agm030310146
_cell_length_a 6.94335
_cell_length_b 6.94335
_cell_length_c 3.74366
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 156.30233
_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
P1 P 0.37987 0.18993 0.50000 1.00000
P2 P 0.81007 0.18993 0.50000 1.00000
P3 P 0.81007 0.62013 0.50000 1.00000
P4 P 0.33333 0.66667 0.00000 1.00000
Ru1 Ru 0.93018 0.46509 0.00000 1.00000
Ru2 Ru 0.19905 0.80095 0.50000 1.00000
Ru3 Ru 0.53491 0.06982 0.00000 1.00000
Ru4 Ru 0.53491 0.46509 0.00000 1.00000
Ru5 Ru 0.19905 0.39811 0.50000 1.00000
Ru6 Ru 0.60189 0.80095 0.50000 1.00000
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