Ac6TeP3Se2
Alexandria ALEXAlex-ID: agm004604149 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Ac2TeP Ac2PSe
2022-06-28 18:06:29.301607
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004604149).
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 agm004604149
data_agm004604149
_cell_length_a 4.46941
_cell_length_b 9.07891
_cell_length_c 10.12678
_cell_angle_alpha 104.23146
_cell_angle_beta 102.74855
_cell_angle_gamma 90.00000
_cell_volume 387.84777
_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 0.32574 0.92507 0.65149 1.00000
Ac2 Ac 0.66276 0.59222 0.32553 1.00000
Ac3 Ac 0.67426 0.07493 0.34851 1.00000
Ac4 Ac 0.99623 0.26999 0.99246 1.00000
Ac5 Ac 0.00377 0.73001 0.00754 1.00000
Ac6 Ac 0.33724 0.40778 0.67447 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.83410 0.16844 0.66821 1.00000
P3 P 0.16590 0.83156 0.33179 1.00000
Se1 Se 0.83246 0.66631 0.66491 1.00000
Se2 Se 0.16754 0.33369 0.33509 1.00000
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