CsRb2Fe3As4BrO14
Alexandria ALEXAlex-ID: agm010318101 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E4F14_2_spg2
Fe3(AsO4)2 Rb2FeAs2O7 CsAs4BrO6 RbFeAs2O7 CsBr
2024-10-25 02:43:52.165285
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010318101).
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 agm010318101
data_agm010318101
_cell_length_a 5.61012
_cell_length_b 8.14849
_cell_length_c 10.07177
_cell_angle_alpha 100.05395
_cell_angle_beta 103.17073
_cell_angle_gamma 89.62677
_cell_volume 441.16017
_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
Cs1 Cs 0.00000 0.50000 0.00000 1.00000
Rb1 Rb 0.85457 0.91217 0.66196 1.00000
Rb2 Rb 0.14543 0.08783 0.33804 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
Fe2 Fe 0.16319 0.60131 0.40813 1.00000
Fe3 Fe 0.83681 0.39869 0.59187 1.00000
As1 As 0.37407 0.22206 0.71019 1.00000
As2 As 0.62593 0.77794 0.28981 1.00000
As3 As 0.42781 0.60605 0.75363 1.00000
As4 As 0.57219 0.39395 0.24637 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
O1 O 0.41637 0.41989 0.82930 1.00000
O2 O 0.58363 0.58011 0.17070 1.00000
O3 O 0.07032 0.21291 0.62684 1.00000
O4 O 0.92968 0.78709 0.37316 1.00000
O5 O 0.43844 0.06693 0.80277 1.00000
O6 O 0.56156 0.93307 0.19723 1.00000
O7 O 0.55337 0.22758 0.59528 1.00000
O8 O 0.44663 0.77242 0.40472 1.00000
O9 O 0.17523 0.58392 0.61544 1.00000
O10 O 0.82477 0.41608 0.38456 1.00000
O11 O 0.69934 0.59552 0.70242 1.00000
O12 O 0.30066 0.40448 0.29758 1.00000
O13 O 0.41982 0.75334 0.89147 1.00000
O14 O 0.58018 0.24666 0.10853 1.00000
