SrTcB14
Alexandria ALEXAlex-ID: agm005755088 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
TcB2 B SrB6
2023-07-18 14:05:00.156332
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755088).
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 agm005755088
data_agm005755088
_cell_length_a 5.89177
_cell_length_b 7.46107
_cell_length_c 7.46107
_cell_angle_alpha 68.39732
_cell_angle_beta 66.74438
_cell_angle_gamma 66.74438
_cell_volume 267.95299
_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
Sr1 Sr 0.25000 0.38652 0.11348 1.00000
Sr2 Sr 0.75000 0.61348 0.88652 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66540 0.37057 0.29863 1.00000
B2 B 0.33460 0.62943 0.70137 1.00000
B3 B 0.16540 0.79863 0.87057 1.00000
B4 B 0.83460 0.20137 0.12943 1.00000
B5 B 0.12427 0.24430 0.50715 1.00000
B6 B 0.87573 0.75570 0.49285 1.00000
B7 B 0.62427 0.00715 0.74430 1.00000
B8 B 0.37573 0.99285 0.25570 1.00000
B9 B 0.08558 0.07906 0.74978 1.00000
B10 B 0.91442 0.92094 0.25022 1.00000
B11 B 0.58558 0.24978 0.57906 1.00000
B12 B 0.41442 0.75022 0.42094 1.00000
B13 B 0.71942 0.60242 0.28118 1.00000
B14 B 0.60302 0.39758 0.71882 1.00000
B15 B 0.21942 0.78118 0.10242 1.00000
B16 B 0.10302 0.21882 0.89758 1.00000
B17 B 0.28058 0.39758 0.71882 1.00000
B18 B 0.39698 0.60242 0.28118 1.00000
B19 B 0.78058 0.21882 0.89758 1.00000
B20 B 0.89698 0.78118 0.10242 1.00000
B21 B 0.32477 0.97014 0.87334 1.00000
B22 B 0.16825 0.02986 0.12666 1.00000
B23 B 0.82477 0.37334 0.47014 1.00000
B24 B 0.66825 0.62666 0.52986 1.00000
B25 B 0.67523 0.02986 0.12666 1.00000
B26 B 0.83175 0.97014 0.87334 1.00000
B27 B 0.17523 0.62666 0.52986 1.00000
B28 B 0.33175 0.37334 0.47014 1.00000
