AlCo(NiH3)2
Alexandria ALEXAlex-ID: agm007620191 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1353_spg1
CoH AlCoH6 AlNi3H H2
2024-03-15 20:08:29.094420
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007620191).
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 agm007620191
data_agm007620191
_cell_length_a 4.61309
_cell_length_b 4.65105
_cell_length_c 4.28685
_cell_angle_alpha 114.28352
_cell_angle_beta 106.78037
_cell_angle_gamma 103.60458
_cell_volume 73.37104
_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
Al1 Al 0.48558 0.96507 0.14953 1.00000
Co1 Co 0.94091 0.96635 0.98068 1.00000
Ni1 Ni 0.96481 0.39436 0.74105 1.00000
Ni2 Ni 0.33764 0.60377 0.44891 1.00000
H1 H 0.11453 0.22875 0.43688 1.00000
H2 H 0.05794 0.74585 0.17906 1.00000
H3 H 0.05595 0.72443 0.65441 1.00000
H4 H 0.65756 0.57331 0.73966 1.00000
H5 H 0.65710 0.01252 0.67101 1.00000
H6 H 0.22404 0.27959 0.99385 1.00000
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