K7Rb23
Alexandria ALEXAlex-ID: agm025649801 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A7B23_4_spg225
Rb K
2025-02-07 09:40:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025649801).
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 agm025649801
data_agm025649801
_cell_length_a 15.59409
_cell_length_b 15.59409
_cell_length_c 15.58635
_cell_angle_alpha 60.01222
_cell_angle_beta 119.98778
_cell_angle_gamma 120.02645
_cell_volume 2680.04856
_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 0.24840 0.24937 0.75124 1.00000
K2 K 0.75007 0.75066 0.24950 1.00000
K3 K 0.24934 0.24993 0.24950 1.00000
K4 K 0.75063 0.75160 0.75124 1.00000
K5 K 0.75114 0.24886 0.75112 1.00000
K6 K 0.24933 0.75067 0.24968 1.00000
K7 K 0.49822 0.50178 0.49729 1.00000
Rb1 Rb 0.12879 0.38652 0.87178 1.00000
Rb2 Rb 0.87169 0.61480 0.12887 1.00000
Rb3 Rb 0.61348 0.87121 0.87178 1.00000
Rb4 Rb 0.12803 0.87197 0.38466 1.00000
Rb5 Rb 0.38520 0.12831 0.12887 1.00000
Rb6 Rb 0.87092 0.12908 0.61299 1.00000
Rb7 Rb 0.12849 0.87151 0.87173 1.00000
Rb8 Rb 0.87151 0.12849 0.12892 1.00000
Rb9 Rb 0.99876 0.49951 0.00027 1.00000
Rb10 Rb 0.49954 0.00013 0.50104 1.00000
Rb11 Rb 0.99987 0.50046 0.50104 1.00000
Rb12 Rb 0.50049 0.00124 0.00027 1.00000
Rb13 Rb 0.50045 0.49955 0.00075 1.00000
Rb14 Rb 0.00047 0.99953 0.50068 1.00000
Rb15 Rb 0.37468 0.12526 0.62545 1.00000
Rb16 Rb 0.62569 0.87787 0.37448 1.00000
Rb17 Rb 0.87474 0.62532 0.62545 1.00000
Rb18 Rb 0.37358 0.62642 0.12168 1.00000
Rb19 Rb 0.12213 0.37431 0.37448 1.00000
Rb20 Rb 0.62442 0.37558 0.87383 1.00000
Rb21 Rb 0.37421 0.62579 0.62575 1.00000
Rb22 Rb 0.62520 0.37480 0.37501 1.00000
Rb23 Rb 0.99922 0.00078 0.99870 1.00000
