Ca2Zn3Rh
Alexandria ALEXAlex-ID: agm015766331 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_207_spg8
Ca2Zn3Rh
2025-04-13 15:16:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015766331).
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 agm015766331
data_agm015766331
_cell_length_a 5.68341
_cell_length_b 5.68341
_cell_length_c 7.20621
_cell_angle_alpha 51.45494
_cell_angle_beta 128.54506
_cell_angle_gamma 133.81062
_cell_volume 123.56055
_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
Ca1 Ca 0.55399 0.44601 0.30814 1.00000
Ca2 Ca 0.44682 0.55318 0.69820 1.00000
Zn1 Zn 0.84466 0.15534 0.29471 1.00000
Zn2 Zn 0.82912 0.17088 0.89147 1.00000
Zn3 Zn 0.16461 0.83539 0.08918 1.00000
Rh1 Rh 0.15999 0.84001 0.71831 1.00000
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