Sr3LiRh2
Alexandria ALEXAlex-ID: agm005677413 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2100_spg14
Sr(Li2Rh)4 Sr3LiRh3 Sr5Rh2
2023-08-22 14:57:24.066161
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677413).
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 agm005677413
data_agm005677413
_cell_length_a 6.20422
_cell_length_b 11.83461
_cell_length_c 9.88980
_cell_angle_alpha 90.00000
_cell_angle_beta 108.94614
_cell_angle_gamma 90.00000
_cell_volume 686.81316
_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
Sr1 Sr 0.24922 0.91359 0.97669 1.00000
Sr2 Sr 0.25078 0.41359 0.52331 1.00000
Sr3 Sr 0.75078 0.08641 0.02331 1.00000
Sr4 Sr 0.74922 0.58641 0.47669 1.00000
Sr5 Sr 0.31041 0.54168 0.10425 1.00000
Sr6 Sr 0.18959 0.04168 0.39575 1.00000
Sr7 Sr 0.68959 0.45832 0.89575 1.00000
Sr8 Sr 0.81041 0.95832 0.60425 1.00000
Sr9 Sr 0.83188 0.76776 0.16302 1.00000
Sr10 Sr 0.66812 0.26776 0.33698 1.00000
Sr11 Sr 0.16812 0.23224 0.83698 1.00000
Sr12 Sr 0.33188 0.73224 0.66302 1.00000
Li1 Li 0.42558 0.81053 0.32354 1.00000
Li2 Li 0.07442 0.31053 0.17646 1.00000
Li3 Li 0.57442 0.18947 0.67646 1.00000
Li4 Li 0.92558 0.68947 0.82354 1.00000
Rh1 Rh 0.61792 0.99278 0.27677 1.00000
Rh2 Rh 0.88208 0.49278 0.22323 1.00000
Rh3 Rh 0.38208 0.00722 0.72323 1.00000
Rh4 Rh 0.11792 0.50722 0.77677 1.00000
Rh5 Rh 0.21146 0.63310 0.35936 1.00000
Rh6 Rh 0.28854 0.13310 0.14064 1.00000
Rh7 Rh 0.78854 0.36690 0.64064 1.00000
Rh8 Rh 0.71146 0.86690 0.85936 1.00000
