Np2C2Cl
Alexandria ALEXAlex-ID: agm002201837 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_308_spg15
Np C NpCl
2018-07-09 19:33:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201837).
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 agm002201837
data_agm002201837
_cell_length_a 3.99207
_cell_length_b 6.13207
_cell_length_c 7.36203
_cell_angle_alpha 98.78497
_cell_angle_beta 105.73145
_cell_angle_gamma 89.99979
_cell_volume 171.27175
_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 0.51982 0.84906 0.69564 1.00000
Np2 Np 0.17582 0.34906 0.69564 1.00000
Np3 Np 0.48018 0.15094 0.30436 1.00000
Np4 Np 0.82418 0.65094 0.30436 1.00000
C1 C 0.34011 0.52848 0.43975 1.00000
C2 C 0.90036 0.97151 0.56024 1.00000
C3 C 0.65989 0.47151 0.56025 1.00000
C4 C 0.09964 0.02849 0.43976 1.00000
Cl1 Cl 0.80708 0.25000 1.00000 1.00000
Cl2 Cl 0.19292 0.75000 1.00000 1.00000
Get direct link