RbCr(H4Au)2
Alexandria ALEXAlex-ID: agm007751669 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_210_spg2
RbH6Au CrH Au H6Au
2024-02-09 10:44:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007751669).
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 agm007751669
data_agm007751669
_cell_length_a 4.49674
_cell_length_b 4.92993
_cell_length_c 8.03887
_cell_angle_alpha 101.59470
_cell_angle_beta 102.33297
_cell_angle_gamma 115.98570
_cell_volume 147.42993
_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 0.00000 0.50000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
H1 H 0.41820 0.18000 0.61723 1.00000
H2 H 0.89409 0.60613 0.85942 1.00000
H3 H 0.58180 0.82000 0.38277 1.00000
H4 H 0.63665 0.00886 0.87589 1.00000
H5 H 0.36335 0.99114 0.12411 1.00000
H6 H 0.04602 0.09651 0.79282 1.00000
H7 H 0.95398 0.90349 0.20718 1.00000
H8 H 0.10591 0.39387 0.14058 1.00000
Au1 Au 0.47788 0.33954 0.83370 1.00000
Au2 Au 0.52212 0.66046 0.16630 1.00000
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