Cs2Np(IBr2)2
Alexandria ALEXAlex-ID: agm011502175 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_99_spg2
Cs2NpBr6 Cs2NpI6
2025-02-28 11:31:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011502175).
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 agm011502175
data_agm011502175
_cell_length_a 6.90863
_cell_length_b 8.12841
_cell_length_c 8.22821
_cell_angle_alpha 119.42938
_cell_angle_beta 91.97435
_cell_angle_gamma 90.45161
_cell_volume 402.03812
_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
Cs1 Cs 0.27294 0.33613 0.67251 1.00000
Cs2 Cs 0.72706 0.66387 0.32749 1.00000
Np1 Np 0.50000 0.00000 0.00000 1.00000
I1 I 0.24649 0.82266 0.64403 1.00000
I2 I 0.75351 0.17734 0.35597 1.00000
Br1 Br 0.27669 0.31814 0.15169 1.00000
Br2 Br 0.72483 0.17178 0.85075 1.00000
Br3 Br 0.72331 0.68186 0.84831 1.00000
Br4 Br 0.27517 0.82822 0.14925 1.00000
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