Sc8Tc2Sb
Alexandria ALEXAlex-ID: agm005908081 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_259_spg8
Sc3Tc Sc6TcSb2 Sc
2023-09-30 02:45:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005908081).
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 agm005908081
data_agm005908081
_cell_length_a 4.67163
_cell_length_b 6.81229
_cell_length_c 8.55537
_cell_angle_alpha 112.63545
_cell_angle_beta 105.81387
_cell_angle_gamma 90.01010
_cell_volume 240.08883
_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
Sc1 Sc 0.61065 0.21699 0.85773 1.00000
Sc2 Sc 0.97421 0.11599 0.58409 1.00000
Sc3 Sc 0.28857 0.33273 0.21355 1.00000
Sc4 Sc 0.76973 0.98929 0.17644 1.00000
Sc5 Sc 0.37132 0.82130 0.37841 1.00000
Sc6 Sc 0.92548 0.51286 0.48735 1.00000
Sc7 Sc 0.16740 0.56695 0.97179 1.00000
Sc8 Sc 0.56337 0.65435 0.76323 1.00000
Tc1 Tc 0.76855 0.58459 0.17414 1.00000
Tc2 Tc 0.44380 0.26445 0.52288 1.00000
Sb1 Sb 0.11693 0.94049 0.87040 1.00000
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