InH3
Alexandria ALEXAlex-ID: agm076008718 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_6404_spg2
InH10 InH2
2025-06-13 13:07:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076008718).
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 agm076008718
data_agm076008718
_cell_length_a 7.56464
_cell_length_b 6.15493
_cell_length_c 7.66753
_cell_angle_alpha 127.75761
_cell_angle_beta 133.06356
_cell_angle_gamma 63.79593
_cell_volume 206.03795
_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
In2 In 0.00000 0.50000 0.00000 1.00000
In3 In 0.50000 0.50000 0.50000 1.00000
In4 In 0.50000 0.00000 0.00000 1.00000
H1 H 0.52607 0.63885 0.23493 1.00000
H2 H 0.47393 0.36115 0.76507 1.00000
H3 H 0.86251 0.31080 0.23963 1.00000
H4 H 0.13749 0.68920 0.76037 1.00000
H5 H 0.76406 0.93315 0.76596 1.00000
H6 H 0.23594 0.06685 0.23404 1.00000
H7 H 0.19717 0.98096 0.24410 1.00000
H8 H 0.80283 0.01904 0.75590 1.00000
H9 H 0.09453 0.59498 0.75831 1.00000
H10 H 0.90547 0.40502 0.24169 1.00000
H11 H 0.42815 0.26409 0.75709 1.00000
H12 H 0.57185 0.73591 0.24291 1.00000
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