La2Zn12Rh5
Alexandria ALEXAlex-ID: agm005679779 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_0_spg166
LaZn3Rh2 Zn3Rh La2Zn17
2023-06-26 15:36:03.895965
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679779).
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 agm005679779
data_agm005679779
_cell_length_a 6.86953
_cell_length_b 6.86953
_cell_length_c 6.86953
_cell_angle_alpha 83.47908
_cell_angle_beta 83.47907
_cell_angle_gamma 83.47908
_cell_volume 318.32647
_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
La1 La 0.67681 0.67681 0.67681 1.00000
La2 La 0.32319 0.32319 0.32319 1.00000
Zn1 Zn 0.28537 0.71463 1.00000 1.00000
Zn2 Zn 0.71463 1.00000 0.28537 1.00000
Zn3 Zn 0.00000 0.28537 0.71463 1.00000
Zn4 Zn 0.71463 0.28537 0.00000 1.00000
Zn5 Zn 0.28537 0.00000 0.71463 1.00000
Zn6 Zn 1.00000 0.71463 0.28537 1.00000
Zn7 Zn 0.34489 0.34489 0.84698 1.00000
Zn8 Zn 0.34489 0.84698 0.34489 1.00000
Zn9 Zn 0.84698 0.34489 0.34489 1.00000
Zn10 Zn 0.65511 0.15302 0.65511 1.00000
Zn11 Zn 0.65511 0.65511 0.15302 1.00000
Zn12 Zn 0.15302 0.65511 0.65511 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
Rh2 Rh 0.00000 0.50000 0.00000 1.00000
Rh3 Rh 0.50000 0.00000 0.00000 1.00000
Rh4 Rh 0.89941 0.89941 0.89941 1.00000
Rh5 Rh 0.10059 0.10059 0.10059 1.00000
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