Na3La(PaTe3)2
Alexandria ALEXAlex-ID: agm004645321 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Na2PaTe3 NaLaTe2 Pa7Te PaTe2
2022-06-28 00:58:57.476551
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004645321).
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 agm004645321
data_agm004645321
_cell_length_a 7.68833
_cell_length_b 7.68833
_cell_length_c 8.13991
_cell_angle_alpha 99.08676
_cell_angle_beta 99.08676
_cell_angle_gamma 120.01556
_cell_volume 395.28692
_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 0.16227 0.83773 0.50000 1.00000
Na2 Na 0.83773 0.16227 0.50000 1.00000
Na3 Na 0.50000 0.50000 0.50000 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.33271 0.66729 0.00000 1.00000
Pa2 Pa 0.66729 0.33271 0.00000 1.00000
Te1 Te 0.91918 0.57563 0.75870 1.00000
Te2 Te 0.73624 0.73624 0.24034 1.00000
Te3 Te 0.08082 0.42437 0.24130 1.00000
Te4 Te 0.57563 0.91918 0.75870 1.00000
Te5 Te 0.26376 0.26376 0.75966 1.00000
Te6 Te 0.42437 0.08082 0.24130 1.00000
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