Ac6Te3Se2S
Alexandria ALEXAlex-ID: agm004635593 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Ac2SeS Ac4Te3Se
2022-07-02 08:31:04.704062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635593).
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 agm004635593
data_agm004635593
_cell_length_a 7.86900
_cell_length_b 7.86900
_cell_length_c 8.02900
_cell_angle_alpha 99.39845
_cell_angle_beta 99.39845
_cell_angle_gamma 120.01738
_cell_volume 406.86325
_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
Ac1 Ac 0.92715 0.60233 0.78110 1.00000
Ac2 Ac 0.74936 0.74936 0.22151 1.00000
Ac3 Ac 0.07285 0.39767 0.21890 1.00000
Ac4 Ac 0.60233 0.92715 0.78110 1.00000
Ac5 Ac 0.25064 0.25064 0.77849 1.00000
Ac6 Ac 0.39767 0.07285 0.21890 1.00000
Te1 Te 0.16990 0.83010 0.50000 1.00000
Te2 Te 0.83010 0.16990 0.50000 1.00000
Te3 Te 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.33390 0.66610 0.00000 1.00000
Se2 Se 0.66610 0.33390 0.00000 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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