Np(HI3)4
Alexandria ALEXAlex-ID: agm099436795 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_841_spg1
NpI4 H6I I
2025-04-22 05:43:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099436795).
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 agm099436795
data_agm099436795
_cell_length_a 6.09043
_cell_length_b 12.87665
_cell_length_c 10.49692
_cell_angle_alpha 88.76293
_cell_angle_beta 97.75297
_cell_angle_gamma 86.48602
_cell_volume 813.78401
_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 0.42952 0.80685 0.78660 1.00000
H1 H 0.61109 0.16453 0.91077 1.00000
H2 H 0.22321 0.94740 0.43524 1.00000
H3 H 0.21355 0.53390 0.98416 1.00000
H4 H 0.87420 0.40067 0.41682 1.00000
I1 I 0.39273 0.03366 0.76688 1.00000
I2 I 0.77942 0.93670 0.20931 1.00000
I3 I 0.46091 0.58091 0.79578 1.00000
I4 I 0.62861 0.43578 0.33032 1.00000
I5 I 0.46843 0.79318 0.08299 1.00000
I6 I 0.34721 0.79986 0.49736 1.00000
I7 I 0.73595 0.26230 0.98379 1.00000
I8 I 0.25314 0.34906 0.54137 1.00000
I9 I 0.93125 0.80948 0.80812 1.00000
I10 I 0.05799 0.51880 0.09958 1.00000
I11 I 0.00409 0.30847 0.73835 1.00000
I12 I 0.08871 0.06845 0.36255 1.00000
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