Sc6Zn3Pt2Rh
Alexandria ALEXAlex-ID: agm044707880 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_407_spg2
Sc3Zn2Pt Sc2ZnPt ScRh
2025-01-06 23:47:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044707880).
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 agm044707880
data_agm044707880
_cell_length_a 7.41502
_cell_length_b 7.41502
_cell_length_c 8.12733
_cell_angle_alpha 56.68239
_cell_angle_beta 123.31761
_cell_angle_gamma 143.22965
_cell_volume 218.12963
_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 0.91436 0.08564 0.08705 1.00000
Sc2 Sc 0.75368 0.24632 0.24935 1.00000
Sc3 Sc 0.08564 0.91436 0.91295 1.00000
Sc4 Sc 0.58069 0.41931 0.41983 1.00000
Sc5 Sc 0.24632 0.75368 0.75065 1.00000
Sc6 Sc 0.41931 0.58069 0.58017 1.00000
Zn1 Zn 0.16481 0.83519 0.33382 1.00000
Zn2 Zn 0.83519 0.16481 0.66618 1.00000
Zn3 Zn 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.33598 0.66402 0.17087 1.00000
Pt2 Pt 0.66402 0.33598 0.82913 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
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