K8Na4Br
Alexandria ALEXAlex-ID: agm097607974 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1733_spg38
KNa2 K KBr
2025-06-16 22:32:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097607974).
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 agm097607974
data_agm097607974
_cell_length_a 4.50821
_cell_length_b 15.83106
_cell_length_c 11.47710
_cell_angle_alpha 68.67492
_cell_angle_beta 89.96847
_cell_angle_gamma 74.03428
_cell_volume 729.06280
_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 0.32766 0.17163 0.16334 1.00000
K2 K 0.31642 0.67703 0.16142 1.00000
K3 K 0.35515 0.64542 0.67816 1.00000
K4 K 0.32748 0.17188 0.66441 1.00000
K5 K 0.64534 0.85696 0.35890 1.00000
K6 K 0.63900 0.36124 0.31955 1.00000
K7 K 0.65175 0.34787 0.82564 1.00000
K8 K 0.64454 0.85778 0.78394 1.00000
Na1 Na 0.99375 0.00944 0.99490 1.00000
Na2 Na 0.99511 0.50590 0.00119 1.00000
Na3 Na 0.99274 0.50695 0.49269 1.00000
Na4 Na 0.96656 0.03314 0.48321 1.00000
Br1 Br 0.64449 0.85476 0.07266 1.00000
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