Zn3GaRh4
Alexandria ALEXAlex-ID: agm040315499 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_447_spg12
Zn2GaRh3 ZnRh
2024-09-13 12:41:57.929873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040315499).
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 agm040315499
data_agm040315499
_cell_length_a 7.40276
_cell_length_b 7.40276
_cell_length_c 7.40276
_cell_angle_alpha 33.57641
_cell_angle_beta 33.57641
_cell_angle_gamma 33.57641
_cell_volume 110.52570
_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
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.75211 0.75211 0.75211 1.00000
Zn3 Zn 0.24789 0.24789 0.24789 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.37341 0.37341 0.37341 1.00000
Rh2 Rh 0.87671 0.87671 0.87671 1.00000
Rh3 Rh 0.12329 0.12329 0.12329 1.00000
Rh4 Rh 0.62659 0.62659 0.62659 1.00000
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