InCuH4
Alexandria ALEXAlex-ID: agm007357832 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_0_spg137
CuH4 Cu InH2
2024-02-08 23:16:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007357832).
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 agm007357832
data_agm007357832
_cell_length_a 4.82713
_cell_length_b 5.49332
_cell_length_c 5.55616
_cell_angle_alpha 88.94511
_cell_angle_beta 89.98327
_cell_angle_gamma 89.62185
_cell_volume 147.30447
_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 0.80034 0.35726 0.25265 1.00000
In2 In 0.19966 0.64274 0.74735 1.00000
Cu1 Cu 0.68566 0.34458 0.75347 1.00000
Cu2 Cu 0.31434 0.65542 0.24653 1.00000
H1 H 0.75482 0.15983 0.52782 1.00000
H2 H 0.19461 0.37995 0.25245 1.00000
H3 H 0.24552 0.84072 0.01479 1.00000
H4 H 0.34622 0.32784 0.75300 1.00000
H5 H 0.24518 0.84017 0.47218 1.00000
H6 H 0.80539 0.62005 0.74755 1.00000
H7 H 0.75448 0.15928 0.98521 1.00000
H8 H 0.65378 0.67216 0.24700 1.00000
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