Ac3Bi2Br
Alexandria ALEXAlex-ID: agm005755519 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Ac AcBi AcBr3
2023-08-26 19:01:53.578032
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755519).
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 agm005755519
data_agm005755519
_cell_length_a 8.27106
_cell_length_b 8.27110
_cell_length_c 15.23915
_cell_angle_alpha 100.35088
_cell_angle_beta 100.34350
_cell_angle_gamma 109.76369
_cell_volume 932.06461
_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 0.16848 0.66421 0.83563 1.00000
Ac2 Ac 0.66716 0.17143 0.83563 1.00000
Ac3 Ac 0.08152 0.08579 0.66437 1.00000
Ac4 Ac 0.58284 0.57857 0.66437 1.00000
Ac5 Ac 0.99406 0.49406 0.49998 1.00000
Ac6 Ac 0.50592 0.00592 0.49998 1.00000
Ac7 Ac 0.42141 0.41714 0.33561 1.00000
Ac8 Ac 0.91420 0.91847 0.33561 1.00000
Ac9 Ac 0.82859 0.33287 0.16439 1.00000
Ac10 Ac 0.33580 0.83153 0.16439 1.00000
Ac11 Ac 0.25594 0.25594 0.00002 1.00000
Ac12 Ac 0.74408 0.74408 0.00002 1.00000
Bi1 Bi 0.99996 0.49995 0.99991 1.00000
Bi2 Bi 0.41578 0.41578 0.83157 1.00000
Bi3 Bi 0.83422 0.33422 0.66843 1.00000
Bi4 Bi 0.25004 0.25004 0.50009 1.00000
Bi5 Bi 0.74994 0.74994 0.49989 1.00000
Bi6 Bi 0.66578 0.16578 0.33156 1.00000
Bi7 Bi 0.58422 0.58422 0.16844 1.00000
Bi8 Bi 0.50006 0.00006 0.00011 1.00000
Br1 Br 0.91707 0.91707 0.83414 1.00000
Br2 Br 0.33293 0.83293 0.66586 1.00000
Br3 Br 0.16706 0.66706 0.33412 1.00000
Br4 Br 0.08294 0.08294 0.16588 1.00000
