ErZr5Rh6
Alexandria ALEXAlex-ID: agm006114795 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Er5ZrRh6 ZrRh
2023-09-19 18:18:26.390293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114795).
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 agm006114795
data_agm006114795
_cell_length_a 4.68054
_cell_length_b 6.65813
_cell_length_c 7.39111
_cell_angle_alpha 90.00013
_cell_angle_beta 71.80818
_cell_angle_gamma 90.00013
_cell_volume 218.82092
_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
Rh1 Rh 0.82875 0.74633 0.34222 1.00000
Rh2 Rh 0.82877 0.25366 0.34223 1.00000
Rh3 Rh 0.50001 0.25756 1.00000 1.00000
Rh4 Rh 0.49999 0.74244 0.00000 1.00000
Rh5 Rh 0.17123 0.74634 0.65777 1.00000
Rh6 Rh 0.17125 0.25367 0.65778 1.00000
Zr1 Zr 0.66647 0.50000 0.66770 1.00000
Zr2 Zr 0.33262 1.00000 0.33459 1.00000
Zr3 Zr 0.00000 0.50000 0.00000 1.00000
Zr4 Zr 0.66738 0.00000 0.66541 1.00000
Zr5 Zr 0.33353 0.50000 0.33230 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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