Na2Pr3SmTe6
Alexandria ALEXAlex-ID: agm004645342 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
NaPr3Te4 NaSmTe2
2022-06-27 23:01:40.606498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004645342).
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 agm004645342
data_agm004645342
_cell_length_a 7.82091
_cell_length_b 7.82091
_cell_length_c 7.86961
_cell_angle_alpha 99.51477
_cell_angle_beta 99.51477
_cell_angle_gamma 119.96786
_cell_volume 393.57768
_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 0.33413 0.66587 0.00000 1.00000
Na2 Na 0.66587 0.33413 0.00000 1.00000
Pr1 Pr 0.16891 0.83109 0.50000 1.00000
Pr2 Pr 0.83109 0.16891 0.50000 1.00000
Pr3 Pr 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.91857 0.58767 0.75556 1.00000
Te2 Te 0.75276 0.75276 0.24837 1.00000
Te3 Te 0.08143 0.41233 0.24444 1.00000
Te4 Te 0.58767 0.91857 0.75556 1.00000
Te5 Te 0.24724 0.24724 0.75163 1.00000
Te6 Te 0.41233 0.08143 0.24444 1.00000
Get direct link