Ac7TcBr12
Alexandria ALEXAlex-ID: agm005774507 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_36_spg148
Ac Tc AcBr3
2023-07-15 14:46:39.990845
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774507).
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 agm005774507
data_agm005774507
_cell_length_a 11.68699
_cell_length_b 10.16312
_cell_length_c 10.16312
_cell_angle_alpha 106.23667
_cell_angle_beta 112.53910
_cell_angle_gamma 112.53909
_cell_volume 891.80935
_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
Ac1 Ac 0.10815 0.80294 0.09715 1.00000
Ac2 Ac 0.98900 0.09715 0.29421 1.00000
Ac3 Ac 0.69479 0.70579 0.80294 1.00000
Ac4 Ac 0.50000 0.00000 0.00000 1.00000
Ac5 Ac 0.30521 0.29421 0.19706 1.00000
Ac6 Ac 0.01100 0.90285 0.70579 1.00000
Ac7 Ac 0.89185 0.19706 0.90285 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.20735 0.52979 0.12501 1.00000
Br2 Br 0.91766 0.12501 0.59522 1.00000
Br3 Br 0.63062 0.80459 0.08909 1.00000
Br4 Br 0.45847 0.08909 0.28451 1.00000
Br5 Br 0.32244 0.40478 0.52979 1.00000
Br6 Br 0.17397 0.71549 0.80459 1.00000
Br7 Br 0.82603 0.28451 0.19541 1.00000
Br8 Br 0.67756 0.59522 0.47021 1.00000
Br9 Br 0.54153 0.91091 0.71549 1.00000
Br10 Br 0.36938 0.19541 0.91091 1.00000
Br11 Br 0.08234 0.87499 0.40478 1.00000
Br12 Br 0.79265 0.47021 0.87499 1.00000
