Sc(HRh)4
Alexandria ALEXAlex-ID: agm006033751 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_10_spg87
ScH4Rh3 Rh
2023-07-10 10:52:59.805046
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006033751).
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 agm006033751
data_agm006033751
_cell_length_a 3.94693
_cell_length_b 5.05329
_cell_length_c 5.04414
_cell_angle_alpha 81.19763
_cell_angle_beta 66.96843
_cell_angle_gamma 67.01250
_cell_volume 85.23367
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
H1 H 0.86353 0.45694 0.81599 1.00000
H2 H 0.13647 0.54306 0.18401 1.00000
H3 H 0.32084 0.81791 0.54041 1.00000
H4 H 0.67916 0.18209 0.45959 1.00000
Rh1 Rh 0.60497 0.59232 0.19775 1.00000
Rh2 Rh 0.39503 0.40768 0.80225 1.00000
Rh3 Rh 0.19706 0.19835 0.40752 1.00000
Rh4 Rh 0.80294 0.80165 0.59248 1.00000
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