Ac6Te3PbSe2
Alexandria ALEXAlex-ID: agm004604231 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
AcSe Ac4Te3Pb
2022-06-29 06:20:55.405380
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004604231).
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 agm004604231
data_agm004604231
_cell_length_a 4.67422
_cell_length_b 9.37732
_cell_length_c 10.50788
_cell_angle_alpha 103.99303
_cell_angle_beta 102.85093
_cell_angle_gamma 90.00000
_cell_volume 435.01186
_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 0.33388 0.90071 0.66776 1.00000
Ac2 Ac 0.67212 0.57102 0.34423 1.00000
Ac3 Ac 0.66612 0.09929 0.33224 1.00000
Ac4 Ac 0.00672 0.24963 0.01344 1.00000
Ac5 Ac 0.99328 0.75037 0.98656 1.00000
Ac6 Ac 0.32788 0.42898 0.65577 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.83530 0.16843 0.67060 1.00000
Te3 Te 0.16470 0.83157 0.32940 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
Se1 Se 0.83171 0.66463 0.66342 1.00000
Se2 Se 0.16829 0.33537 0.33658 1.00000
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