SrNi2H7
Alexandria ALEXAlex-ID: agm006200767 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_827_spg8
Sr(NiH3)2 H2
2023-11-24 11:11:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200767).
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 agm006200767
data_agm006200767
_cell_length_a 3.43743
_cell_length_b 4.80413
_cell_length_c 8.45166
_cell_angle_alpha 106.92438
_cell_angle_beta 65.82949
_cell_angle_gamma 135.71285
_cell_volume 88.91084
_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
H1 H 0.21403 0.81482 0.25660 1.00000
H2 H 0.74006 0.83291 0.75739 1.00000
H3 H 0.35560 0.70457 0.51798 1.00000
H4 H 0.27930 0.37055 0.25315 1.00000
H5 H 0.62651 0.98394 0.52146 1.00000
H6 H 0.30974 0.98146 0.35060 1.00000
H7 H 0.73079 0.33264 0.76662 1.00000
Sr1 Sr 0.99851 0.33288 0.99773 1.00000
Ni1 Ni 0.25967 0.83299 0.73812 1.00000
Ni2 Ni 0.71817 0.87062 0.30851 1.00000
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