Ca4AgRh
Alexandria ALEXAlex-ID: agm003745461 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
Ca4AgRh
2022-04-18 07:14:31.853703
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003745461).
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 agm003745461
data_agm003745461
_cell_length_a 5.00542
_cell_length_b 5.00656
_cell_length_c 7.23547
_cell_angle_alpha 89.95681
_cell_angle_beta 89.97611
_cell_angle_gamma 90.00044
_cell_volume 181.32036
_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 0.50117 0.99687 0.26600 1.00000
Ca2 Ca 0.50144 0.99770 0.73023 1.00000
Ca3 Ca 0.00150 0.49760 0.73023 1.00000
Ca4 Ca 0.00110 0.49697 0.26606 1.00000
Ag1 Ag 0.50130 0.49727 0.99816 1.00000
Rh1 Rh 0.00129 0.99732 0.49815 1.00000
