Zr8B8P3Ru20
Alexandria ALEXAlex-ID: agm017546348 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C8D20_0_spg10
Zr2B2PRu5 ZrBRu3 Zr3B2Ru5 ZrB2
2024-11-01 15:22:28.022448
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017546348).
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 agm017546348
data_agm017546348
_cell_length_a 3.04501
_cell_length_b 9.27523
_cell_length_c 18.60691
_cell_angle_alpha 90.04183
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 525.51782
_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
Zr1 Zr 0.00000 0.17528 0.66201 1.00000
Zr2 Zr 0.00000 0.17522 0.16345 1.00000
Zr3 Zr 0.00000 0.82472 0.33799 1.00000
Zr4 Zr 0.00000 0.82478 0.83655 1.00000
Zr5 Zr 0.00000 0.32710 0.41234 1.00000
Zr6 Zr 0.00000 0.32443 0.91230 1.00000
Zr7 Zr 0.00000 0.67290 0.58766 1.00000
Zr8 Zr 0.00000 0.67557 0.08770 1.00000
B1 B 0.00000 0.36166 0.55747 1.00000
B2 B 0.00000 0.37693 0.06308 1.00000
B3 B 0.00000 0.63834 0.44253 1.00000
B4 B 0.00000 0.62307 0.93692 1.00000
B5 B 0.00000 0.11785 0.32030 1.00000
B6 B 0.00000 0.12366 0.81017 1.00000
B7 B 0.00000 0.88215 0.67970 1.00000
B8 B 0.00000 0.87634 0.18983 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.00000 0.49857 0.25431 1.00000
P3 P 0.00000 0.50143 0.74569 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
Ru2 Ru 0.50000 0.50000 0.00000 1.00000
Ru3 Ru 0.50000 0.00111 0.25137 1.00000
Ru4 Ru 0.50000 0.99889 0.74863 1.00000
Ru5 Ru 0.50000 0.93209 0.60123 1.00000
Ru6 Ru 0.50000 0.93207 0.10563 1.00000
Ru7 Ru 0.50000 0.06791 0.39877 1.00000
Ru8 Ru 0.50000 0.06793 0.89437 1.00000
Ru9 Ru 0.50000 0.56998 0.35545 1.00000
Ru10 Ru 0.50000 0.56848 0.85411 1.00000
Ru11 Ru 0.50000 0.43002 0.64455 1.00000
Ru12 Ru 0.50000 0.43152 0.14589 1.00000
Ru13 Ru 0.50000 0.79706 0.46676 1.00000
Ru14 Ru 0.50000 0.79238 0.96649 1.00000
Ru15 Ru 0.50000 0.20294 0.53324 1.00000
Ru16 Ru 0.50000 0.20762 0.03351 1.00000
Ru17 Ru 0.50000 0.29153 0.28467 1.00000
Ru18 Ru 0.50000 0.29183 0.78374 1.00000
Ru19 Ru 0.50000 0.70847 0.71533 1.00000
Ru20 Ru 0.50000 0.70817 0.21626 1.00000
