Ac4Si2Bi
Alexandria ALEXAlex-ID: agm003458085 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1125_spg15
Ac3Si2 AcBi
2022-02-19 19:57:28.698025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458085).
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 agm003458085
data_agm003458085
_cell_length_a 8.91448
_cell_length_b 8.91451
_cell_length_c 8.91692
_cell_angle_alpha 109.45801
_cell_angle_beta 109.51089
_cell_angle_gamma 109.43305
_cell_volume 545.56812
_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 0.91578 0.23711 0.32140 1.00000
Ac2 Ac 0.33410 0.51289 0.17849 1.00000
Ac3 Ac 0.91572 0.59438 0.67861 1.00000
Ac4 Ac 0.76290 0.08415 0.67851 1.00000
Ac5 Ac 0.40564 0.08440 0.32149 1.00000
Ac6 Ac 0.33440 0.15562 0.82151 1.00000
Ac7 Ac 0.48712 0.66574 0.82138 1.00000
Ac8 Ac 0.84436 0.66573 0.17862 1.00000
Si1 Si 0.62512 0.37500 0.75012 1.00000
Si2 Si 0.62488 0.87500 0.24988 1.00000
Si3 Si 0.62500 0.37512 0.25011 1.00000
Si4 Si 0.12501 0.37489 0.74989 1.00000
Bi1 Bi 0.25029 0.75028 0.50000 1.00000
Bi2 Bi 0.99969 0.99970 1.00000 1.00000
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