RbCa2H7
Alexandria ALEXAlex-ID: agm006201758 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1011_spg123
RbH7 CaH2 RbH
2023-10-28 08:07:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201758).
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 agm006201758
data_agm006201758
_cell_length_a 5.95818
_cell_length_b 4.17664
_cell_length_c 11.01095
_cell_angle_alpha 118.76321
_cell_angle_beta 71.13873
_cell_angle_gamma 134.67629
_cell_volume 170.75494
_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 0.97614 0.79378 0.51179 1.00000
H2 H 0.97040 0.91698 0.48145 1.00000
H3 H 0.46122 0.58803 0.79645 1.00000
H4 H 0.98437 0.13052 0.20416 1.00000
H5 H 0.47332 0.85570 0.49685 1.00000
H6 H 0.48521 0.12370 0.19730 1.00000
H7 H 0.96205 0.58107 0.78954 1.00000
Ca1 Ca 0.45805 0.97571 0.71020 1.00000
Ca2 Ca 0.48842 0.73608 0.28355 1.00000
Rb1 Rb 0.97321 0.35581 0.99686 1.00000
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