ScU(NiH4)2
Alexandria ALEXAlex-ID: agm007488471 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_413_spg12
U(NiH3)2 ScNiH3 ScH3 UH3
2024-07-09 21:38:50.546052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007488471).
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 agm007488471
data_agm007488471
_cell_length_a 4.28631
_cell_length_b 4.27683
_cell_length_c 6.24000
_cell_angle_alpha 95.59128
_cell_angle_beta 107.54319
_cell_angle_gamma 113.62581
_cell_volume 96.75988
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.51031 0.83448 0.31838 1.00000
Ni2 Ni 0.48969 0.16552 0.68162 1.00000
H1 H 0.08755 0.54477 0.18249 1.00000
H2 H 0.65602 0.59937 0.20881 1.00000
H3 H 0.91245 0.45523 0.81751 1.00000
H4 H 0.64098 0.86847 0.59672 1.00000
H5 H 0.35902 0.13153 0.40328 1.00000
H6 H 0.35463 0.88480 0.82515 1.00000
H7 H 0.64537 0.11520 0.17485 1.00000
H8 H 0.34398 0.40063 0.79119 1.00000
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