Sc8SbTe3P4
Alexandria ALEXAlex-ID: agm048705228 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Sc3TeP2 Sc2TeP ScSb
2024-11-08 16:40:33.129934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048705228).
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 agm048705228
data_agm048705228
_cell_length_a 8.01935
_cell_length_b 8.01935
_cell_length_c 8.01935
_cell_angle_alpha 58.24078
_cell_angle_beta 58.24078
_cell_angle_gamma 58.24078
_cell_volume 349.97521
_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 0.76116 0.76116 0.26672 1.00000
Sc2 Sc 0.76116 0.26672 0.76116 1.00000
Sc3 Sc 0.73554 0.73554 0.73554 1.00000
Sc4 Sc 0.26672 0.76116 0.76116 1.00000
Sc5 Sc 0.73328 0.23884 0.23884 1.00000
Sc6 Sc 0.26446 0.26446 0.26446 1.00000
Sc7 Sc 0.23884 0.73328 0.23884 1.00000
Sc8 Sc 0.23884 0.23884 0.73328 1.00000
Sb1 Sb 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.00000 0.50000 0.00000 1.00000
Te2 Te 0.00000 0.00000 0.50000 1.00000
Te3 Te 0.50000 0.00000 0.00000 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.00000 0.50000 0.50000 1.00000
P3 P 0.50000 0.00000 0.50000 1.00000
P4 P 0.50000 0.50000 0.00000 1.00000
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