NbI5
Alexandria ALEXAlex-ID: agm003232115 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_131_spg14
NbI5
2021-12-11 04:57:50.692066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003232115).
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 agm003232115
data_agm003232115
_cell_length_a 6.78109
_cell_length_b 11.17126
_cell_length_c 15.03028
_cell_angle_alpha 69.65406
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1067.55658
_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
Nb1 Nb 0.46052 0.21620 0.70657 1.00000
Nb2 Nb 0.96052 0.78380 0.79343 1.00000
Nb3 Nb 0.53948 0.78380 0.29343 1.00000
Nb4 Nb 0.03948 0.21620 0.20657 1.00000
I1 I 0.77120 0.00045 0.67143 1.00000
I2 I 0.27120 0.99955 0.82857 1.00000
I3 I 0.22880 0.99955 0.32857 1.00000
I4 I 0.72880 0.00045 0.17143 1.00000
I5 I 0.71136 0.19514 0.85269 1.00000
I6 I 0.21136 0.80486 0.64731 1.00000
I7 I 0.28864 0.80486 0.14731 1.00000
I8 I 0.78864 0.19514 0.35269 1.00000
I9 I 0.72182 0.37663 0.58409 1.00000
I10 I 0.22182 0.62337 0.91591 1.00000
I11 I 0.27818 0.62337 0.41591 1.00000
I12 I 0.77818 0.37663 0.08409 1.00000
I13 I 0.71716 0.61258 0.77236 1.00000
I14 I 0.21716 0.38742 0.72764 1.00000
I15 I 0.28284 0.38742 0.22764 1.00000
I16 I 0.78284 0.61258 0.27236 1.00000
I17 I 0.78317 0.82392 0.94177 1.00000
I18 I 0.28317 0.17608 0.55823 1.00000
I19 I 0.21683 0.17608 0.05823 1.00000
I20 I 0.71683 0.82392 0.44177 1.00000
