YAl(H4Rh)2
Alexandria ALEXAlex-ID: agm007305569 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1_spg5
YH6Rh H2 AlRh
2024-03-05 20:45:03.923078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007305569).
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 agm007305569
data_agm007305569
_cell_length_a 3.54341
_cell_length_b 4.68906
_cell_length_c 6.72261
_cell_angle_alpha 96.54624
_cell_angle_beta 90.11565
_cell_angle_gamma 112.13324
_cell_volume 102.66962
_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
Y1 Y 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
H1 H 0.11947 0.24312 0.23184 1.00000
H2 H 0.79915 0.59995 0.21233 1.00000
H3 H 0.49377 0.99055 0.18306 1.00000
H4 H 0.88053 0.75688 0.76816 1.00000
H5 H 0.20085 0.40005 0.78767 1.00000
H6 H 0.50623 0.00945 0.81694 1.00000
H7 H 0.66030 0.32102 0.56482 1.00000
H8 H 0.33970 0.67898 0.43518 1.00000
Rh1 Rh 0.69406 0.38608 0.82050 1.00000
Rh2 Rh 0.30594 0.61392 0.17950 1.00000
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