Rb2FeH7
Alexandria ALEXAlex-ID: agm006201793 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
RbH7 FeH Rb3FeH7
2023-11-14 17:06:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201793).
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 agm006201793
data_agm006201793
_cell_length_a 5.67620
_cell_length_b 5.65295
_cell_length_c 9.21867
_cell_angle_alpha 107.31527
_cell_angle_beta 71.98801
_cell_angle_gamma 120.10076
_cell_volume 239.68900
_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
H1 H 0.04288 0.60237 0.10514 1.00000
H2 H 0.84381 0.03490 0.91796 1.00000
H3 H 0.32158 0.47968 0.91203 1.00000
H4 H 0.04747 0.27235 0.09008 1.00000
H5 H 0.47327 0.84856 0.49009 1.00000
H6 H 0.73583 0.28295 0.09613 1.00000
H7 H 0.82464 0.46736 0.91448 1.00000
Fe1 Fe 0.99325 0.36052 0.96559 1.00000
Rb1 Rb 0.37512 0.96091 0.79167 1.00000
Rb2 Rb 0.57454 0.74779 0.18499 1.00000
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