K(NpTe2)2
Alexandria ALEXAlex-ID: agm003454307 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_20_spg63
K2(NpTe2)3 NpTe2
2022-02-17 20:57:44.869482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003454307).
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 agm003454307
data_agm003454307
_cell_length_a 4.46845
_cell_length_b 7.68539
_cell_length_c 15.39296
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.90052
_cell_volume 505.79069
_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
K1 K 0.60436 0.20872 0.75000 1.00000
K2 K 0.39564 0.79128 0.25000 1.00000
Np1 Np 0.13475 0.26950 0.43673 1.00000
Np2 Np 0.86525 0.73050 0.93673 1.00000
Np3 Np 0.13475 0.26950 0.06327 1.00000
Np4 Np 0.86525 0.73050 0.56327 1.00000
Te1 Te 0.76653 0.53307 0.11312 1.00000
Te2 Te 0.76653 0.53307 0.38688 1.00000
Te3 Te 0.23347 0.46693 0.88688 1.00000
Te4 Te 0.23347 0.46693 0.61312 1.00000
Te5 Te 0.92015 0.84031 0.75000 1.00000
Te6 Te 0.07985 0.15969 0.25000 1.00000
Te7 Te 0.50000 0.00000 0.00000 1.00000
Te8 Te 0.50000 0.00000 0.50000 1.00000
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