Ce2Y3ScTe6
Alexandria ALEXAlex-ID: agm004601014 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
YTe Ce4YTe5 ScTe
2022-06-29 06:18:01.848167
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004601014).
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 agm004601014
data_agm004601014
_cell_length_a 4.34724
_cell_length_b 8.82567
_cell_length_c 9.80192
_cell_angle_alpha 103.52645
_cell_angle_beta 102.81211
_cell_angle_gamma 90.00000
_cell_volume 356.00492
_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
Ce1 Ce 0.83273 0.66453 0.66546 1.00000
Ce2 Ce 0.16727 0.33547 0.33454 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.82835 0.16435 0.65669 1.00000
Y3 Y 0.17165 0.83565 0.34331 1.00000
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.33939 0.92614 0.67878 1.00000
Te2 Te 0.66370 0.58986 0.32740 1.00000
Te3 Te 0.66061 0.07386 0.32122 1.00000
Te4 Te 0.99600 0.23802 0.99200 1.00000
Te5 Te 0.00400 0.76198 0.00800 1.00000
Te6 Te 0.33630 0.41014 0.67260 1.00000
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