In2NiH7
Alexandria ALEXAlex-ID: agm006200730 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
In3Ni2 InNi InH10
2023-11-25 01:31:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200730).
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 agm006200730
data_agm006200730
_cell_length_a 4.83221
_cell_length_b 4.44592
_cell_length_c 7.04585
_cell_angle_alpha 91.73181
_cell_angle_beta 74.57661
_cell_angle_gamma 112.80045
_cell_volume 134.06407
_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 0.21674 0.60733 0.11670 1.00000
H2 H 0.72963 0.10353 0.87699 1.00000
H3 H 0.24136 0.30845 0.82153 1.00000
H4 H 0.00345 0.10801 0.13528 1.00000
H5 H 0.47354 0.85612 0.49695 1.00000
H6 H 0.70540 0.40328 0.17197 1.00000
H7 H 0.94286 0.60351 0.85822 1.00000
Ni1 Ni 0.97314 0.35562 0.99664 1.00000
In1 In 0.37337 0.94315 0.77445 1.00000
In2 In 0.57291 0.76838 0.21944 1.00000
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