InCu2NiH8
Alexandria ALEXAlex-ID: agm007304141 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
CuH4 InNi
2024-10-15 11:11:56.514186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007304141).
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 agm007304141
data_agm007304141
_cell_length_a 4.08327
_cell_length_b 4.31458
_cell_length_c 6.92685
_cell_angle_alpha 84.51436
_cell_angle_beta 89.34926
_cell_angle_gamma 64.23291
_cell_volume 109.33500
_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
In1 In 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.67983 0.62731 0.85914 1.00000
Cu2 Cu 0.32017 0.37269 0.14086 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
H1 H 0.97055 0.76104 0.17880 1.00000
H2 H 0.75594 0.34077 0.09682 1.00000
H3 H 0.32272 0.98550 0.12553 1.00000
H4 H 0.02945 0.23896 0.82120 1.00000
H5 H 0.24406 0.65923 0.90318 1.00000
H6 H 0.67728 0.01450 0.87447 1.00000
H7 H 0.63766 0.72803 0.62667 1.00000
H8 H 0.36234 0.27197 0.37333 1.00000
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