Np(TeCl)2
Alexandria ALEXAlex-ID: agm005876532 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2597_spg12
NpTe3 NpCl3 Te
2023-08-05 15:22:46.276122
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005876532).
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 agm005876532
data_agm005876532
_cell_length_a 6.97633
_cell_length_b 7.58067
_cell_length_c 7.83167
_cell_angle_alpha 78.58120
_cell_angle_beta 63.55154
_cell_angle_gamma 63.60831
_cell_volume 332.18046
_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
Np1 Np 0.15962 0.50000 0.68076 1.00000
Np2 Np 0.84038 0.50000 0.31924 1.00000
Te1 Te 0.12079 0.16133 1.00000 1.00000
Te2 Te 0.87921 0.83867 0.00000 1.00000
Te3 Te 0.62771 0.64960 1.00000 1.00000
Te4 Te 0.37229 0.35040 0.00000 1.00000
Cl1 Cl 0.02104 0.26870 0.56645 1.00000
Cl2 Cl 0.41251 0.73130 0.56645 1.00000
Cl3 Cl 0.97896 0.73130 0.43355 1.00000
Cl4 Cl 0.58749 0.26870 0.43355 1.00000
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