Ce6Ge2Te3S
Alexandria ALEXAlex-ID: agm044346875 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Ce4GeS3 Ce3GeTe2 Ce2GeTe
2025-02-03 08:19:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044346875).
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
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# CIF generated by HEAS from Alexandria entry agm044346875
data_agm044346875
_cell_length_a 7.44004
_cell_length_b 7.44004
_cell_length_c 7.64249
_cell_angle_alpha 80.66357
_cell_angle_beta 99.33643
_cell_angle_gamma 60.04163
_cell_volume 346.71660
_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 0.40210 0.92599 0.22248 1.00000
Ce2 Ce 0.25307 0.74693 0.77501 1.00000
Ce3 Ce 0.59790 0.07401 0.77752 1.00000
Ce4 Ce 0.07401 0.59790 0.22248 1.00000
Ce5 Ce 0.74693 0.25307 0.22499 1.00000
Ce6 Ce 0.92599 0.40210 0.77752 1.00000
Ge1 Ge 0.33379 0.33379 0.00000 1.00000
Ge2 Ge 0.66621 0.66621 0.00000 1.00000
Te1 Te 0.16915 0.16915 0.50000 1.00000
Te2 Te 0.83085 0.83085 0.50000 1.00000
Te3 Te 0.50000 0.50000 0.50000 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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