Sm3NpTe6
Alexandria ALEXAlex-ID: agm003578680 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_323_spg11
NpTe2 Sm2Te3 Np3Te4
2022-04-02 15:02:18.730639
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003578680).
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 agm003578680
data_agm003578680
_cell_length_a 4.41457
_cell_length_b 12.65206
_cell_length_c 12.96082
_cell_angle_alpha 109.25298
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 683.41929
_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
Sm1 Sm 0.75000 0.42781 0.83362 1.00000
Sm2 Sm 0.25000 0.57219 0.16638 1.00000
Sm3 Sm 0.75000 0.68154 0.50283 1.00000
Sm4 Sm 0.25000 0.31846 0.49717 1.00000
Sm5 Sm 0.75000 0.15406 0.07708 1.00000
Sm6 Sm 0.25000 0.84594 0.92292 1.00000
Np1 Np 0.75000 0.04455 0.69244 1.00000
Np2 Np 0.25000 0.95545 0.30756 1.00000
Te1 Te 0.75000 0.48561 0.61973 1.00000
Te2 Te 0.25000 0.51439 0.38027 1.00000
Te3 Te 0.75000 0.91618 0.10529 1.00000
Te4 Te 0.25000 0.08382 0.89471 1.00000
Te5 Te 0.75000 0.39481 0.06469 1.00000
Te6 Te 0.25000 0.60519 0.93531 1.00000
Te7 Te 0.75000 0.75236 0.28154 1.00000
Te8 Te 0.25000 0.24764 0.71846 1.00000
Te9 Te 0.75000 0.11183 0.46420 1.00000
Te10 Te 0.25000 0.88817 0.53580 1.00000
Te11 Te 0.75000 0.80998 0.75022 1.00000
Te12 Te 0.25000 0.19002 0.24978 1.00000
