Ac3CdTe2
Alexandria ALEXAlex-ID: agm005836632 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
AcCd AcTe
2023-08-16 22:27:09.009009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005836632).
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 agm005836632
data_agm005836632
_cell_length_a 6.72394
_cell_length_b 9.57111
_cell_length_c 14.21045
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.13521
_cell_volume 914.51858
_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 0.24843 0.62008 0.57943 1.00000
Ac2 Ac 0.24843 0.12008 0.92057 1.00000
Ac3 Ac 0.25020 0.62817 0.91505 1.00000
Ac4 Ac 0.25020 0.12817 0.58495 1.00000
Ac5 Ac 0.25095 0.62842 0.25069 1.00000
Ac6 Ac 0.25095 0.12842 0.24931 1.00000
Ac7 Ac 0.74905 0.87158 0.75069 1.00000
Ac8 Ac 0.74905 0.37158 0.74931 1.00000
Ac9 Ac 0.74980 0.87183 0.41505 1.00000
Ac10 Ac 0.74980 0.37183 0.08495 1.00000
Ac11 Ac 0.75157 0.87992 0.07943 1.00000
Ac12 Ac 0.75157 0.37992 0.42057 1.00000
Cd1 Cd 0.25175 0.87373 0.08786 1.00000
Cd2 Cd 0.25175 0.37373 0.41214 1.00000
Cd3 Cd 0.74825 0.62627 0.58786 1.00000
Cd4 Cd 0.74825 0.12627 0.91214 1.00000
Te1 Te 0.24905 0.87368 0.74616 1.00000
Te2 Te 0.24905 0.37368 0.75384 1.00000
Te3 Te 0.24987 0.88014 0.41739 1.00000
Te4 Te 0.24987 0.38014 0.08261 1.00000
Te5 Te 0.75013 0.61986 0.91739 1.00000
Te6 Te 0.75013 0.11986 0.58261 1.00000
Te7 Te 0.75095 0.62632 0.24616 1.00000
Te8 Te 0.75095 0.12632 0.25384 1.00000
