NaNpTe2
Alexandria ALEXAlex-ID: agm013286804 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_744_spg194
NaNpTe2
2024-11-07 23:37:39.757404
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013286804).
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
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# CIF generated by HEAS from Alexandria entry agm013286804
data_agm013286804
_cell_length_a 4.45458
_cell_length_b 4.45458
_cell_length_c 15.36608
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 264.06268
_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 0.66667 0.33333 0.25000 1.00000
Na2 Na 0.33333 0.66667 0.75000 1.00000
Np1 Np 0.00000 0.00000 0.50000 1.00000
Np2 Np 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.33333 0.66667 0.38501 1.00000
Te2 Te 0.66667 0.33333 0.88501 1.00000
Te3 Te 0.66667 0.33333 0.61499 1.00000
Te4 Te 0.33333 0.66667 0.11499 1.00000
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