Ni2H7W
Alexandria ALEXAlex-ID: agm006200645 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
Ni3H4 NiH4 W
2023-11-24 17:18:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200645).
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 agm006200645
data_agm006200645
_cell_length_a 4.52179
_cell_length_b 4.52114
_cell_length_c 5.23729
_cell_angle_alpha 125.54593
_cell_angle_beta 48.22770
_cell_angle_gamma 116.50108
_cell_volume 64.66451
_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 0.00081 0.86224 0.42617 1.00000
H2 H 0.09308 0.00096 0.77606 1.00000
H3 H 0.43453 0.53846 0.66771 1.00000
H4 H 0.00624 0.33045 0.32951 1.00000
H5 H 0.56580 0.77126 0.32852 1.00000
H6 H 0.45675 0.10130 0.20917 1.00000
H7 H 0.78703 0.30396 0.77644 1.00000
W1 W 0.87989 0.45840 0.14335 1.00000
Ni1 Ni 0.34114 0.00825 0.90509 1.00000
Ni2 Ni 0.66712 0.68209 0.90615 1.00000
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