Sn(BC3)4
Alexandria ALEXAlex-ID: agm071336770 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_286_spg141
B4C Sn C
2024-08-05 11:30:30.001366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336770).
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 agm071336770
data_agm071336770
_cell_length_a 10.08413
_cell_length_b 10.08413
_cell_length_c 10.08413
_cell_angle_alpha 149.97226
_cell_angle_beta 149.97226
_cell_angle_gamma 42.98212
_cell_volume 256.12742
_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
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.75000 0.25000 0.50000 1.00000
B1 B 0.37500 0.82423 0.94923 1.00000
B2 B 0.37500 0.42577 0.55077 1.00000
B3 B 0.87500 0.42577 0.05077 1.00000
B4 B 0.87500 0.82423 0.44923 1.00000
B5 B 0.17577 0.62500 0.05077 1.00000
B6 B 0.57423 0.62500 0.44923 1.00000
B7 B 0.57423 0.12500 0.94923 1.00000
B8 B 0.17577 0.12500 0.55077 1.00000
C1 C 0.50400 0.71581 0.21182 1.00000
C2 C 0.24600 0.53419 0.28818 1.00000
C3 C 0.50400 0.29218 0.78818 1.00000
C4 C 0.24600 0.95782 0.71182 1.00000
C5 C 0.04218 0.75400 0.28818 1.00000
C6 C 0.70782 0.49600 0.21182 1.00000
C7 C 0.46581 0.75400 0.71182 1.00000
C8 C 0.28419 0.49600 0.78818 1.00000
C9 C 0.43840 0.80280 0.36441 1.00000
C10 C 0.31160 0.44720 0.13559 1.00000
C11 C 0.43840 0.07399 0.63559 1.00000
C12 C 0.31160 0.17601 0.86441 1.00000
C13 C 0.82399 0.68840 0.13559 1.00000
C14 C 0.92601 0.56160 0.36441 1.00000
C15 C 0.55280 0.68840 0.86441 1.00000
C16 C 0.19720 0.56160 0.63559 1.00000
C17 C 0.58086 0.92397 0.34311 1.00000
C18 C 0.16914 0.32603 0.15689 1.00000
C19 C 0.58086 0.23775 0.65689 1.00000
C20 C 0.16914 0.01225 0.84311 1.00000
C21 C 0.98775 0.83086 0.15689 1.00000
C22 C 0.76225 0.41914 0.34311 1.00000
C23 C 0.67397 0.83086 0.84311 1.00000
C24 C 0.07603 0.41914 0.65689 1.00000
