Tb3Si3B8
Alexandria ALEXAlex-ID: agm003375813 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Tb10Si17 TbB4 Si
2022-02-08 23:29:45.137624
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003375813).
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 agm003375813
data_agm003375813
_cell_length_a 3.16037
_cell_length_b 7.92072
_cell_length_c 7.92072
_cell_angle_alpha 65.56315
_cell_angle_beta 78.49227
_cell_angle_gamma 78.49227
_cell_volume 175.35726
_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
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.78397 0.21603 0.21603 1.00000
Tb3 Tb 0.21603 0.78397 0.78397 1.00000
Si1 Si 0.50000 0.00000 0.00000 1.00000
Si2 Si 0.00000 0.78574 0.21426 1.00000
Si3 Si 0.00000 0.21426 0.78574 1.00000
B1 B 0.63783 0.11901 0.60533 1.00000
B2 B 0.36217 0.88099 0.39467 1.00000
B3 B 0.63783 0.60533 0.11901 1.00000
B4 B 0.36217 0.39467 0.88099 1.00000
B5 B 0.85748 0.82120 0.46384 1.00000
B6 B 0.14252 0.17880 0.53616 1.00000
B7 B 0.85748 0.46384 0.82120 1.00000
B8 B 0.14252 0.53616 0.17880 1.00000
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