Al2CrInH8
Alexandria ALEXAlex-ID: agm007486165 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_35_spg2
AlH3 CrH In InH2
2025-05-27 06:25:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007486165).
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 agm007486165
data_agm007486165
_cell_length_a 4.36909
_cell_length_b 4.37066
_cell_length_c 7.02830
_cell_angle_alpha 71.85930
_cell_angle_beta 71.91687
_cell_angle_gamma 59.99849
_cell_volume 108.48197
_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
Al1 Al 0.79179 0.79124 0.62564 1.00000
Al2 Al 0.20821 0.20876 0.37436 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
H1 H 0.70612 0.70494 0.88293 1.00000
H2 H 0.80361 0.33044 0.64567 1.00000
H3 H 0.29388 0.29506 0.11707 1.00000
H4 H 0.66791 0.78053 0.35370 1.00000
H5 H 0.33209 0.21947 0.64630 1.00000
H6 H 0.77871 0.20012 0.35216 1.00000
H7 H 0.22129 0.79988 0.64784 1.00000
H8 H 0.19639 0.66956 0.35433 1.00000
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