ScCu3(H4Rh)2
Alexandria ALEXAlex-ID: agm006629331 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_571_spg1
ScH6Rh ScH3Rh Cu H8Rh3
2024-02-29 23:32:40.589663
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006629331).
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 agm006629331
data_agm006629331
_cell_length_a 5.31407
_cell_length_b 4.98994
_cell_length_c 6.73131
_cell_angle_alpha 110.28568
_cell_angle_beta 109.45245
_cell_angle_gamma 118.72305
_cell_volume 116.63207
_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 0.79811 0.67985 0.47963 1.00000
Cu1 Cu 0.56763 0.03188 0.98021 1.00000
Cu2 Cu 0.18160 0.50099 0.03666 1.00000
Cu3 Cu 0.67474 0.58904 0.98935 1.00000
H1 H 0.30419 0.52317 0.80087 1.00000
H2 H 0.43185 0.28983 0.05284 1.00000
H3 H 0.12004 0.95396 0.31324 1.00000
H4 H 0.64366 0.10519 0.32154 1.00000
H5 H 0.27639 0.52965 0.32158 1.00000
H6 H 0.79552 0.54955 0.77914 1.00000
H7 H 0.27351 0.79753 0.63196 1.00000
H8 H 0.80380 0.05920 0.76656 1.00000
Rh1 Rh 0.09297 0.30952 0.45803 1.00000
Rh2 Rh 0.52865 0.06598 0.54642 1.00000
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