Zr4CuRh
Alexandria ALEXAlex-ID: agm014617034 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1255_spg71
Zr2Rh Zr2Cu
2025-04-14 10:26:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014617034).
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 agm014617034
data_agm014617034
_cell_length_a 5.88713
_cell_length_b 5.88713
_cell_length_c 6.57424
_cell_angle_alpha 73.74505
_cell_angle_beta 106.25495
_cell_angle_gamma 147.31433
_cell_volume 117.69554
_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
Zr1 Zr 0.34483 0.65517 0.17214 1.00000
Zr2 Zr 0.65292 0.34708 0.32623 1.00000
Zr3 Zr 0.65517 0.34483 0.82786 1.00000
Zr4 Zr 0.34708 0.65292 0.67377 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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