Na2(PaTe2)3
Alexandria ALEXAlex-ID: agm005603933 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_107_spg12
Na2PaTe3 Pa7Te PaTe2
2023-06-12 16:59:47.704170
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603933).
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 agm005603933
data_agm005603933
_cell_length_a 7.45240
_cell_length_b 7.45305
_cell_length_c 8.25406
_cell_angle_alpha 81.30556
_cell_angle_beta 72.40085
_cell_angle_gamma 60.00286
_cell_volume 378.46228
_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
Na1 Na 0.16605 0.66790 0.50000 1.00000
Na2 Na 0.83395 0.33210 0.50000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Pa2 Pa 0.33206 0.33589 0.00000 1.00000
Pa3 Pa 0.66794 0.66411 1.00000 1.00000
Te1 Te 0.41335 0.67066 0.76097 1.00000
Te2 Te 0.74216 1.00000 0.76300 1.00000
Te3 Te 0.08402 0.32934 0.76097 1.00000
Te4 Te 0.25784 0.00000 0.23700 1.00000
Te5 Te 0.58665 0.32934 0.23903 1.00000
Te6 Te 0.91598 0.67066 0.23903 1.00000
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