K4Rb3O4
Alexandria ALEXAlex-ID: agm005693048 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_127_spg38
KRbO2 Rb2O K2O
2023-06-29 22:02:24.943621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693048).
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 agm005693048
data_agm005693048
_cell_length_a 4.02466
_cell_length_b 6.81681
_cell_length_c 10.47076
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00001
_cell_angle_gamma 107.16952
_cell_volume 274.46676
_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 0.60522 0.21044 0.50000 1.00000
K2 K 0.63392 0.26784 0.00000 1.00000
K3 K 0.07150 0.14299 0.75652 1.00000
K4 K 0.07150 0.14299 0.24348 1.00000
Rb1 Rb 0.33974 0.67949 0.33743 1.00000
Rb2 Rb 0.33974 0.67949 0.66257 1.00000
Rb3 Rb 0.36197 0.72394 0.00000 1.00000
O1 O 0.70264 0.40528 0.74453 1.00000
O2 O 0.70264 0.40528 0.25547 1.00000
O3 O 0.97004 0.94008 0.50000 1.00000
O4 O 0.99959 0.99917 0.00000 1.00000
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