LiAc2Zn6Rh
Alexandria ALEXAlex-ID: agm004932166 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_413_spg2
LiZn AcZn4 AcZnRh
2022-07-26 22:49:47.283775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004932166).
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
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# CIF generated by HEAS from Alexandria entry agm004932166
data_agm004932166
_cell_length_a 6.47645
_cell_length_b 6.88054
_cell_length_c 6.47417
_cell_angle_alpha 62.01186
_cell_angle_beta 59.98742
_cell_angle_gamma 89.98977
_cell_volume 209.96306
_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
Li1 Li 1.00000 1.00000 0.00000 1.00000
Ac1 Ac 0.78159 0.34743 0.43684 1.00000
Ac2 Ac 0.21841 0.65257 0.56315 1.00000
Zn1 Zn 0.24637 0.16322 0.50718 1.00000
Zn2 Zn 0.75387 0.83617 0.91688 1.00000
Zn3 Zn 0.32933 0.83625 0.91681 1.00000
Zn4 Zn 0.67067 0.16375 0.08319 1.00000
Zn5 Zn 0.24613 0.16383 0.08313 1.00000
Zn6 Zn 0.75363 0.83678 0.49283 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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