K28Rb
Alexandria ALEXAlex-ID: agm018633554 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB28_1_spg8
Rb K
2025-01-18 10:10:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018633554).
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 agm018633554
data_agm018633554
_cell_length_a 14.06664
_cell_length_b 14.06664
_cell_length_c 13.89944
_cell_angle_alpha 70.82483
_cell_angle_beta 109.17517
_cell_angle_gamma 70.32063
_cell_volume 2127.10524
_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 0.64544 0.35456 0.64059 1.00000
K2 K 0.99990 0.00010 0.00041 1.00000
K3 K 0.00076 0.99924 0.36089 1.00000
K4 K 0.68532 0.31468 0.27683 1.00000
K5 K 0.59632 0.68428 0.00362 1.00000
K6 K 0.72330 0.59328 0.40899 1.00000
K7 K 0.31686 0.00077 0.59512 1.00000
K8 K 0.35822 0.00186 0.99744 1.00000
K9 K 0.68261 0.72351 0.68199 1.00000
K10 K 0.99864 0.40999 0.31610 1.00000
K11 K 0.59001 0.00136 0.31610 1.00000
K12 K 0.27649 0.31739 0.68199 1.00000
K13 K 0.99814 0.64178 0.99744 1.00000
K14 K 0.99923 0.68314 0.59512 1.00000
K15 K 0.40672 0.27670 0.40899 1.00000
K16 K 0.31572 0.40368 0.00362 1.00000
K17 K 0.18783 0.81217 0.82045 1.00000
K18 K 0.38154 0.61846 0.18911 1.00000
K19 K 0.81201 0.37387 0.00117 1.00000
K20 K 0.37175 0.81926 0.36707 1.00000
K21 K 0.00033 0.18956 0.62293 1.00000
K22 K 0.00103 0.37411 0.81021 1.00000
K23 K 0.18795 0.18646 0.19213 1.00000
K24 K 0.81354 0.81205 0.19213 1.00000
K25 K 0.62589 0.99897 0.81021 1.00000
K26 K 0.81044 0.99967 0.62293 1.00000
K27 K 0.18074 0.62825 0.36707 1.00000
K28 K 0.62613 0.18799 0.00117 1.00000
Rb1 Rb 0.40564 0.59436 0.72189 1.00000
