Zr12Rh17
Alexandria ALEXAlex-ID: agm006216005 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A12B17_0_spg217
Zr3Rh5 Zr3Rh4
2023-11-29 08:57:28.139179
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006216005).
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 agm006216005
data_agm006216005
_cell_length_a 8.77129
_cell_length_b 8.77129
_cell_length_c 8.77129
_cell_angle_alpha 109.47118
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 519.48059
_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
Rh1 Rh 0.69692 0.26754 0.69692 1.00000
Rh2 Rh 0.42938 0.73246 0.42938 1.00000
Rh3 Rh 0.30308 1.00000 0.57062 1.00000
Rh4 Rh 0.57062 1.00000 0.30308 1.00000
Rh5 Rh 0.30308 0.57062 1.00000 1.00000
Rh6 Rh 0.57062 0.30308 1.00000 1.00000
Rh7 Rh 0.42938 0.42938 0.73246 1.00000
Rh8 Rh 0.69692 0.69692 0.26754 1.00000
Rh9 Rh 1.00000 0.57062 0.30308 1.00000
Rh10 Rh 1.00000 0.30308 0.57062 1.00000
Rh11 Rh 0.26754 0.69692 0.69692 1.00000
Rh12 Rh 0.73246 0.42938 0.42938 1.00000
Rh13 Rh 0.00000 0.29798 0.00000 1.00000
Rh14 Rh 0.70202 0.70202 0.70202 1.00000
Rh15 Rh 0.00000 0.00000 0.29798 1.00000
Rh16 Rh 0.29798 0.00000 0.00000 1.00000
Rh17 Rh 0.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.20525 0.79266 0.20525 1.00000
Zr2 Zr 0.41258 0.20734 0.41258 1.00000
Zr3 Zr 0.79475 0.00000 0.58742 1.00000
Zr4 Zr 0.58742 0.00000 0.79475 1.00000
Zr5 Zr 0.79475 0.58742 0.00000 1.00000
Zr6 Zr 0.58742 0.79475 0.00000 1.00000
Zr7 Zr 0.41258 0.41258 0.20734 1.00000
Zr8 Zr 0.20525 0.20525 0.79266 1.00000
Zr9 Zr 0.00000 0.58742 0.79475 1.00000
Zr10 Zr 0.00000 0.79475 0.58742 1.00000
Zr11 Zr 0.79266 0.20525 0.20525 1.00000
Zr12 Zr 0.20734 0.41258 0.41258 1.00000
