Ba4Pt2Br3
Alexandria ALEXAlex-ID: agm005688078 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_737_spg12
Ba2PtBr Ba2Pt2Br BaBr2
2023-06-26 19:53:27.811496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688078).
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 agm005688078
data_agm005688078
_cell_length_a 4.36801
_cell_length_b 8.99384
_cell_length_c 9.29184
_cell_angle_alpha 98.07352
_cell_angle_beta 76.40570
_cell_angle_gamma 75.94618
_cell_volume 336.54819
_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
Ba1 Ba 0.71204 0.23152 0.34440 1.00000
Ba2 Ba 0.28796 0.76848 0.65560 1.00000
Ba3 Ba 0.48577 0.23155 0.79692 1.00000
Ba4 Ba 0.51423 0.76845 0.20308 1.00000
Pt1 Pt 0.81931 0.90071 0.46067 1.00000
Pt2 Pt 0.18069 0.09929 0.53933 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
Br2 Br 0.19295 0.44297 0.17112 1.00000
Br3 Br 0.80705 0.55703 0.82888 1.00000
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