RbInH4
Alexandria ALEXAlex-ID: agm003735583 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3_spg88
RbInH2 RbH7 In
2022-04-18 14:02:25.418005
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003735583).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003735583
data_agm003735583
_cell_length_a 5.59780
_cell_length_b 5.59708
_cell_length_c 7.98616
_cell_angle_alpha 110.50535
_cell_angle_beta 110.52324
_cell_angle_gamma 90.03356
_cell_volume 217.30539
_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
Rb1 Rb 0.37510 0.62508 0.25018 1.00000
Rb2 Rb 0.62490 0.37492 0.74982 1.00000
In1 In 0.12533 0.87501 0.75034 1.00000
In2 In 0.87467 0.12499 0.24966 1.00000
H1 H 0.86717 0.30957 0.10681 1.00000
H2 H 0.73976 0.79731 0.10685 1.00000
H3 H 0.30989 0.74034 0.60744 1.00000
H4 H 0.69011 0.25966 0.39256 1.00000
H5 H 0.20233 0.13283 0.39249 1.00000
H6 H 0.26024 0.20269 0.89315 1.00000
H7 H 0.79767 0.86717 0.60751 1.00000
H8 H 0.13283 0.69043 0.89319 1.00000
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