Be2SiTc3
Alexandria ALEXAlex-ID: agm005674336 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2161_spg14
Be2SiTc2 SiTc2 BeTc2
2023-08-07 06:02:17.096241
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674336).
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 agm005674336
data_agm005674336
_cell_length_a 7.86975
_cell_length_b 6.37232
_cell_length_c 9.78279
_cell_angle_alpha 90.00000
_cell_angle_beta 142.81445
_cell_angle_gamma 90.00000
_cell_volume 296.51336
_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
Be1 Be 0.88357 0.97900 0.33363 1.00000
Be2 Be 0.61643 0.47900 0.16637 1.00000
Be3 Be 0.11643 0.02100 0.66637 1.00000
Be4 Be 0.38357 0.52100 0.83363 1.00000
Be5 Be 0.38409 0.63956 0.45585 1.00000
Be6 Be 0.11591 0.13956 0.04415 1.00000
Be7 Be 0.61591 0.36044 0.54415 1.00000
Be8 Be 0.88409 0.86044 0.95585 1.00000
Si1 Si 0.44559 0.86058 0.29000 1.00000
Si2 Si 0.05441 0.36058 0.21000 1.00000
Si3 Si 0.55441 0.13942 0.71000 1.00000
Si4 Si 0.94559 0.63942 0.79000 1.00000
Tc1 Tc 0.39567 0.82298 0.00771 1.00000
Tc2 Tc 0.10433 0.32298 0.49229 1.00000
Tc3 Tc 0.60433 0.17702 0.99229 1.00000
Tc4 Tc 0.89567 0.67702 0.50771 1.00000
Tc5 Tc 0.30830 0.49660 0.17665 1.00000
Tc6 Tc 0.19170 0.99660 0.32335 1.00000
Tc7 Tc 0.69170 0.50340 0.82335 1.00000
Tc8 Tc 0.80830 0.00340 0.67665 1.00000
Tc9 Tc 0.86942 0.70019 0.17584 1.00000
Tc10 Tc 0.63058 0.20019 0.32416 1.00000
Tc11 Tc 0.13058 0.29981 0.82416 1.00000
Tc12 Tc 0.36942 0.79981 0.67584 1.00000
