Ce6SbTe2P3
Alexandria ALEXAlex-ID: agm035123737 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Ce5Sb4Te Ce2TeP CeP
2024-12-11 21:43:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035123737).
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 agm035123737
data_agm035123737
_cell_length_a 9.66427
_cell_length_b 9.66427
_cell_length_c 8.68735
_cell_angle_alpha 75.10765
_cell_angle_beta 104.89235
_cell_angle_gamma 154.67593
_cell_volume 334.80192
_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 0.67318 0.32682 0.56436 1.00000
Ce2 Ce 0.34109 0.65891 0.89746 1.00000
Ce3 Ce 0.32682 0.67318 0.43564 1.00000
Ce4 Ce 0.00712 0.99288 0.23455 1.00000
Ce5 Ce 0.99288 0.00712 0.76545 1.00000
Ce6 Ce 0.65891 0.34109 0.10254 1.00000
Sb1 Sb 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.16690 0.83310 0.83391 1.00000
Te2 Te 0.83310 0.16690 0.16609 1.00000
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.16700 0.83300 0.33338 1.00000
P3 P 0.83300 0.16700 0.66662 1.00000
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