K(NiH2)4
Alexandria ALEXAlex-ID: agm097604045 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2105_spg8
K(NiH2)4
2025-06-16 01:41:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097604045).
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 agm097604045
data_agm097604045
_cell_length_a 4.37401
_cell_length_b 6.72846
_cell_length_c 5.03715
_cell_angle_alpha 112.25799
_cell_angle_beta 89.99111
_cell_angle_gamma 93.98222
_cell_volume 136.81312
_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
K1 K 0.34196 0.15535 0.11730 1.00000
Ni1 Ni 0.71875 0.68478 0.88066 1.00000
Ni2 Ni 0.71606 0.68486 0.38074 1.00000
Ni3 Ni 0.21303 0.66198 0.61896 1.00000
Ni4 Ni 0.21310 0.66196 0.11903 1.00000
H1 H 0.67985 0.23311 0.65682 1.00000
H2 H 0.53398 0.55051 0.56307 1.00000
H3 H 0.53395 0.55034 0.06255 1.00000
H4 H 0.03913 0.53497 0.80480 1.00000
H5 H 0.03146 0.53656 0.30560 1.00000
H6 H 0.66559 0.10971 0.59448 1.00000
H7 H 0.90651 0.81794 0.69874 1.00000
H8 H 0.90663 0.81792 0.19725 1.00000
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