ScZn5Rh6
Alexandria ALEXAlex-ID: agm006102402 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
ScZn4Rh5 ZnRh
2023-09-06 21:06:46.918670
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006102402).
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 agm006102402
data_agm006102402
_cell_length_a 4.31956
_cell_length_b 6.11863
_cell_length_c 6.81351
_cell_angle_alpha 89.99997
_cell_angle_beta 108.41738
_cell_angle_gamma 90.00000
_cell_volume 170.85593
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.66511 0.50000 0.33130 1.00000
Zn2 Zn 0.33561 1.00000 0.67013 1.00000
Zn3 Zn 0.00000 0.50000 0.00000 1.00000
Zn4 Zn 0.66439 0.00000 0.32987 1.00000
Zn5 Zn 0.33489 0.50000 0.66870 1.00000
Rh1 Rh 0.83042 0.74633 0.65971 1.00000
Rh2 Rh 0.83042 0.25366 0.65971 1.00000
Rh3 Rh 0.50000 0.25933 1.00000 1.00000
Rh4 Rh 0.50000 0.74067 0.00000 1.00000
Rh5 Rh 0.16958 0.74634 0.34029 1.00000
Rh6 Rh 0.16958 0.25367 0.34029 1.00000
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