ScH8Pd2Rh
Alexandria ALEXAlex-ID: agm007405941 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_394_spg2
ScH4Pd2Rh ScH6Rh H4Pd
2024-03-26 10:58:54.631014
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007405941).
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 agm007405941
data_agm007405941
_cell_length_a 4.98508
_cell_length_b 5.74244
_cell_length_c 5.71842
_cell_angle_alpha 61.66356
_cell_angle_beta 51.49047
_cell_angle_gamma 54.93113
_cell_volume 103.07926
_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 0.50000 0.50000 1.00000
H1 H 0.07768 0.18438 0.34289 1.00000
H2 H 0.14055 0.27717 0.85275 1.00000
H3 H 0.92232 0.81562 0.65711 1.00000
H4 H 0.65667 0.23735 0.88663 1.00000
H5 H 0.34333 0.76265 0.11337 1.00000
H6 H 0.35889 0.77108 0.73391 1.00000
H7 H 0.64111 0.22892 0.26609 1.00000
H8 H 0.85945 0.72283 0.14725 1.00000
Pd1 Pd 0.62870 0.19832 0.59761 1.00000
Pd2 Pd 0.37130 0.80168 0.40239 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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