Zr6Tc5Rh
Alexandria ALEXAlex-ID: agm006114724 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
Zr6Tc5Rh
2023-09-13 09:55:15.486860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114724).
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 agm006114724
data_agm006114724
_cell_length_a 4.66586
_cell_length_b 6.57270
_cell_length_c 8.07021
_cell_angle_alpha 114.03020
_cell_angle_beta 106.80267
_cell_angle_gamma 90.00038
_cell_volume 214.42086
_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 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.66564 0.16564 0.33127 1.00000
Tc2 Tc 0.33381 0.33381 0.66762 1.00000
Tc3 Tc 0.00000 0.50000 0.00000 1.00000
Tc4 Tc 0.66619 0.66619 0.33238 1.00000
Tc5 Tc 0.33436 0.83436 0.66873 1.00000
Zr1 Zr 0.83240 0.58090 0.66479 1.00000
Zr2 Zr 0.83239 0.08389 0.66479 1.00000
Zr3 Zr 0.50001 0.74701 0.00000 1.00000
Zr4 Zr 0.49999 0.25299 0.00000 1.00000
Zr5 Zr 0.16761 0.91611 0.33521 1.00000
Zr6 Zr 0.16760 0.41910 0.33521 1.00000
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