KPdBr
Alexandria ALEXAlex-ID: agm003083325 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_322_spg8
Pd KBr
2015-05-12 01:46:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003083325).
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 agm003083325
data_agm003083325
_cell_length_a 12.26500
_cell_length_b 6.15988
_cell_length_c 6.15988
_cell_angle_alpha 142.92790
_cell_angle_beta 137.97632
_cell_angle_gamma 42.02368
_cell_volume 174.32203
_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 0.34497 0.12803 0.87197 1.00000
K2 K 0.83088 0.99688 0.00312 1.00000
Br1 Br 0.47101 0.75455 0.24545 1.00000
Br2 Br 0.81646 0.73430 0.26570 1.00000
Pd1 Pd 0.01878 0.13507 0.86493 1.00000
Pd2 Pd 0.24715 0.47633 0.52367 1.00000
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