ThNi(H4Rh)2
Alexandria ALEXAlex-ID: agm007306159 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_22_spg2
ThNiH6Rh ThH8Rh5 NiH H8Rh3
2024-03-16 05:06:49.641634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306159).
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 agm007306159
data_agm007306159
_cell_length_a 4.21954
_cell_length_b 4.45893
_cell_length_c 6.25733
_cell_angle_alpha 99.25490
_cell_angle_beta 91.22563
_cell_angle_gamma 111.82803
_cell_volume 107.44188
_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
Th1 Th 0.00000 0.00000 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
H1 H 0.30287 0.23610 0.19167 1.00000
H2 H 0.15409 0.69585 0.92379 1.00000
H3 H 0.66726 0.88247 0.16166 1.00000
H4 H 0.69713 0.76390 0.80833 1.00000
H5 H 0.84591 0.30415 0.07621 1.00000
H6 H 0.33274 0.11753 0.83834 1.00000
H7 H 0.64050 0.34707 0.54073 1.00000
H8 H 0.35950 0.65293 0.45927 1.00000
Rh1 Rh 0.74154 0.38167 0.80648 1.00000
Rh2 Rh 0.25846 0.61833 0.19352 1.00000
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