Ta3Ga2Br9
Alexandria ALEXAlex-ID: agm005607309 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_30_spg12
GaBr2 Ta5Ga13 Ta2Br5
2023-06-14 03:45:25.984492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607309).
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 agm005607309
data_agm005607309
_cell_length_a 10.26072
_cell_length_b 9.95914
_cell_length_c 9.95915
_cell_angle_alpha 108.22998
_cell_angle_beta 106.13682
_cell_angle_gamma 106.13681
_cell_volume 851.05586
_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
Ta1 Ta 0.38641 0.10752 0.10752 1.00000
Ta2 Ta 0.61359 0.89248 0.89248 1.00000
Ta3 Ta 0.64067 0.03004 0.21048 1.00000
Ta4 Ta 0.35933 0.78952 0.96996 1.00000
Ta5 Ta 0.35933 0.96996 0.78952 1.00000
Ta6 Ta 0.64067 0.21048 0.03004 1.00000
Ga1 Ga 0.15365 0.52419 0.21722 1.00000
Ga2 Ga 0.84635 0.78278 0.47581 1.00000
Ga3 Ga 0.84635 0.47581 0.78278 1.00000
Ga4 Ga 0.15365 0.21722 0.52419 1.00000
Br1 Br 0.50000 0.22562 0.77438 1.00000
Br2 Br 0.16094 0.49343 0.92399 1.00000
Br3 Br 0.16094 0.92399 0.49343 1.00000
Br4 Br 0.83906 0.50657 0.07601 1.00000
Br5 Br 0.76991 0.74182 0.74182 1.00000
Br6 Br 0.23009 0.25818 0.25818 1.00000
Br7 Br 0.53426 0.39494 0.16927 1.00000
Br8 Br 0.46574 0.83073 0.60506 1.00000
Br9 Br 0.46574 0.60506 0.83073 1.00000
Br10 Br 0.53426 0.16927 0.39494 1.00000
Br11 Br 0.15015 0.69694 0.69694 1.00000
Br12 Br 0.81588 0.90490 0.12961 1.00000
Br13 Br 0.81588 0.12961 0.90490 1.00000
Br14 Br 0.18412 0.09510 0.87039 1.00000
Br15 Br 0.18412 0.87039 0.09510 1.00000
Br16 Br 0.50000 0.77438 0.22562 1.00000
Br17 Br 0.84985 0.30306 0.30306 1.00000
Br18 Br 0.83906 0.07601 0.50657 1.00000
