KRb(SnH4)2
Alexandria ALEXAlex-ID: agm007382129 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
RbSnH KH7 RbH7 Rb4Sn23
2024-02-09 01:36:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007382129).
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 agm007382129
data_agm007382129
_cell_length_a 6.73956
_cell_length_b 6.61461
_cell_length_c 7.32024
_cell_angle_alpha 68.13902
_cell_angle_beta 116.55265
_cell_angle_gamma 134.57446
_cell_volume 207.05908
_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
K1 K 0.50000 0.50000 0.50000 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.79606 0.26847 0.36544 1.00000
Sn2 Sn 0.20394 0.73153 0.63456 1.00000
H1 H 0.94335 0.09035 0.57271 1.00000
H2 H 0.95666 0.35888 0.18179 1.00000
H3 H 0.05665 0.90965 0.42729 1.00000
H4 H 0.61511 0.43557 0.21507 1.00000
H5 H 0.38489 0.56443 0.78493 1.00000
H6 H 0.45077 0.92325 0.29690 1.00000
H7 H 0.54923 0.07675 0.70310 1.00000
H8 H 0.04334 0.64112 0.81821 1.00000
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