InCuH4
Alexandria ALEXAlex-ID: agm007485671 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_4216_spg1
CuH4 Cu InH2
2024-02-08 06:05:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007485671).
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 agm007485671
data_agm007485671
_cell_length_a 4.60567
_cell_length_b 7.25022
_cell_length_c 5.66440
_cell_angle_alpha 63.46548
_cell_angle_beta 88.49667
_cell_angle_gamma 73.61924
_cell_volume 161.25338
_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 0.86842 0.93899 0.92841 1.00000
In2 In 0.01728 0.49963 0.52070 1.00000
Cu1 Cu 0.32452 0.05051 0.62840 1.00000
Cu2 Cu 0.88677 0.95879 0.45018 1.00000
H1 H 0.29718 0.93949 0.94563 1.00000
H2 H 0.14918 0.70797 0.54476 1.00000
H3 H 0.71865 0.06776 0.14124 1.00000
H4 H 0.61417 0.87213 0.59820 1.00000
H5 H 0.37531 0.28703 0.56117 1.00000
H6 H 0.92712 0.63449 0.14257 1.00000
H7 H 0.70593 0.43619 0.67459 1.00000
H8 H 0.11547 0.10699 0.36401 1.00000
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