In(CuH3)2
Alexandria ALEXAlex-ID: agm007665221 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_5760_spg1
CuH4 Cu InH2
2024-02-09 02:07:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007665221).
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 agm007665221
data_agm007665221
_cell_length_a 4.83029
_cell_length_b 5.08598
_cell_length_c 5.81728
_cell_angle_alpha 53.20434
_cell_angle_beta 56.72413
_cell_angle_gamma 60.62542
_cell_volume 92.83740
_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 0.24453 0.83647 0.98825 1.00000
Cu1 Cu 0.33501 0.46586 0.52488 1.00000
Cu2 Cu 0.71148 0.67763 0.51558 1.00000
H1 H 0.39017 0.48444 0.77903 1.00000
H2 H 0.19486 0.13004 0.33010 1.00000
H3 H 0.93687 0.43442 0.74610 1.00000
H4 H 0.62941 0.70011 0.25345 1.00000
H5 H 0.00742 0.19399 0.35376 1.00000
H6 H 0.55006 0.07699 0.50894 1.00000
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