NaSr3Rh
Alexandria ALEXAlex-ID: agm005754987 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5566_spg2
Sr3Rh Na
2023-07-04 20:35:20.037843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754987).
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
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# CIF generated by HEAS from Alexandria entry agm005754987
data_agm005754987
_cell_length_a 6.86792
_cell_length_b 6.86770
_cell_length_c 9.92461
_cell_angle_alpha 106.34346
_cell_angle_beta 95.65059
_cell_angle_gamma 116.81212
_cell_volume 386.77137
_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
Na1 Na 0.72191 0.22190 0.50000 1.00000
Na2 Na 0.27809 0.77810 0.50000 1.00000
Sr1 Sr 0.31202 0.78781 0.09982 1.00000
Sr2 Sr 0.68798 0.21219 0.90018 1.00000
Sr3 Sr 0.04215 0.17021 0.21235 1.00000
Sr4 Sr 0.95785 0.82979 0.78765 1.00000
Sr5 Sr 0.69279 0.59323 0.28603 1.00000
Sr6 Sr 0.30721 0.40677 0.71397 1.00000
Rh1 Rh 0.31081 0.31080 0.00000 1.00000
Rh2 Rh 0.68919 0.68920 1.00000 1.00000
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