SrHo(H3Rh)2
Alexandria ALEXAlex-ID: agm007744862 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_17_spg2
HoH3Rh Sr4(H4Rh)3 Rh
2024-03-16 00:30:59.346191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007744862).
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 agm007744862
data_agm007744862
_cell_length_a 4.71643
_cell_length_b 4.91458
_cell_length_c 6.67590
_cell_angle_alpha 89.70275
_cell_angle_beta 110.89631
_cell_angle_gamma 121.06662
_cell_volume 120.69645
_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 0.00000 0.50000 0.50000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
H1 H 0.96170 0.55860 0.12747 1.00000
H2 H 0.16811 0.04501 0.69441 1.00000
H3 H 0.38430 0.44690 0.29818 1.00000
H4 H 0.03830 0.44140 0.87253 1.00000
H5 H 0.83189 0.95499 0.30559 1.00000
H6 H 0.61570 0.55310 0.70182 1.00000
Rh1 Rh 0.59693 0.29469 0.87163 1.00000
Rh2 Rh 0.40307 0.70531 0.12837 1.00000
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