CoNi3H7
Alexandria ALEXAlex-ID: agm006453032 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_146_spg8
Ni3H4 NiH4 CoH
2024-02-28 23:49:36.369241
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006453032).
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 agm006453032
data_agm006453032
_cell_length_a 4.32362
_cell_length_b 4.32362
_cell_length_c 4.44066
_cell_angle_alpha 68.32724
_cell_angle_beta 68.32724
_cell_angle_gamma 72.03074
_cell_volume 70.25225
_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
Co1 Co 0.94381 0.94381 0.04238 1.00000
Ni1 Ni 0.75572 0.25393 0.49792 1.00000
Ni2 Ni 0.56132 0.56132 0.96431 1.00000
Ni3 Ni 0.25393 0.75572 0.49792 1.00000
H1 H 0.10614 0.10614 0.21948 1.00000
H2 H 0.59553 0.16555 0.24522 1.00000
H3 H 0.90747 0.32622 0.75959 1.00000
H4 H 0.16555 0.59553 0.24522 1.00000
H5 H 0.65994 0.65994 0.26337 1.00000
H6 H 0.32622 0.90747 0.75959 1.00000
H7 H 0.84936 0.84936 0.75501 1.00000
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