Ac2PaTe5
Alexandria ALEXAlex-ID: agm069751003 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_989_spg62
Ac2PaTe5
2024-11-26 23:30:37.505351
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069751003).
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 agm069751003
data_agm069751003
_cell_length_a 8.67574
_cell_length_b 9.35891
_cell_length_c 13.76067
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1117.30360
_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 0.96485 0.99933 0.67702 1.00000
Ac2 Ac 0.03515 0.00067 0.32298 1.00000
Ac3 Ac 0.46485 0.00067 0.82298 1.00000
Ac4 Ac 0.03515 0.49933 0.32298 1.00000
Ac5 Ac 0.53515 0.99933 0.17702 1.00000
Ac6 Ac 0.96485 0.50067 0.67702 1.00000
Ac7 Ac 0.53515 0.50067 0.17702 1.00000
Ac8 Ac 0.46485 0.49933 0.82298 1.00000
Pa1 Pa 0.92845 0.75000 0.99306 1.00000
Pa2 Pa 0.07155 0.25000 0.00694 1.00000
Pa3 Pa 0.42845 0.25000 0.50694 1.00000
Pa4 Pa 0.57155 0.75000 0.49306 1.00000
Te1 Te 0.55125 0.75000 0.99752 1.00000
Te2 Te 0.44875 0.25000 0.00248 1.00000
Te3 Te 0.05125 0.25000 0.50248 1.00000
Te4 Te 0.94875 0.75000 0.49752 1.00000
Te5 Te 0.83171 0.45770 0.91084 1.00000
Te6 Te 0.16829 0.54230 0.08916 1.00000
Te7 Te 0.33171 0.54230 0.58916 1.00000
Te8 Te 0.16829 0.95770 0.08916 1.00000
Te9 Te 0.66829 0.45770 0.41084 1.00000
Te10 Te 0.83171 0.04230 0.91084 1.00000
Te11 Te 0.66829 0.04230 0.41084 1.00000
Te12 Te 0.33171 0.95770 0.58916 1.00000
Te13 Te 0.68424 0.75000 0.71204 1.00000
Te14 Te 0.31576 0.25000 0.28796 1.00000
Te15 Te 0.18424 0.25000 0.78796 1.00000
Te16 Te 0.81576 0.75000 0.21204 1.00000
Te17 Te 0.16200 0.75000 0.81527 1.00000
Te18 Te 0.83800 0.25000 0.18473 1.00000
Te19 Te 0.66200 0.25000 0.68473 1.00000
Te20 Te 0.33800 0.75000 0.31527 1.00000
