ErZrRh4
Alexandria ALEXAlex-ID: agm003752145 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1257_spg10
Zr3Rh5 ErRh2 ZrRh3
2022-04-19 12:50:56.863591
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752145).
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 agm003752145
data_agm003752145
_cell_length_a 3.12960
_cell_length_b 4.54696
_cell_length_c 7.80552
_cell_angle_alpha 90.01277
_cell_angle_beta 89.99038
_cell_angle_gamma 89.99945
_cell_volume 111.07382
_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
Er1 Er 0.50029 0.49718 0.99814 1.00000
Zr1 Zr 0.00206 0.99746 0.49814 1.00000
Rh1 Rh 0.50143 0.99714 0.22253 1.00000
Rh2 Rh 0.50195 0.99731 0.77373 1.00000
Rh3 Rh 0.00142 0.49745 0.69998 1.00000
Rh4 Rh 0.00064 0.49718 0.29631 1.00000
