Nb2S9
Alexandria ALEXAlex-ID: agm007757892 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9_5_spg2
Nb2S9
2025-02-01 20:24:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757892).
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 agm007757892
data_agm007757892
_cell_length_a 8.62507
_cell_length_b 8.98337
_cell_length_c 8.15602
_cell_angle_alpha 99.54334
_cell_angle_beta 93.98170
_cell_angle_gamma 100.76431
_cell_volume 608.93752
_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 0.59830 0.14027 0.09188 1.00000
Nb2 Nb 0.85993 0.40004 0.41183 1.00000
Nb3 Nb 0.40170 0.85973 0.90812 1.00000
Nb4 Nb 0.14007 0.59996 0.58817 1.00000
S1 S 0.60108 0.30467 0.51708 1.00000
S2 S 0.70059 0.36851 0.96662 1.00000
S3 S 0.30664 0.88055 0.60331 1.00000
S4 S 0.11859 0.69813 0.90163 1.00000
S5 S 0.69336 0.11945 0.39669 1.00000
S6 S 0.88141 0.30187 0.09837 1.00000
S7 S 0.87125 0.66928 0.56367 1.00000
S8 S 0.32716 0.12413 0.95106 1.00000
S9 S 0.12875 0.33072 0.43633 1.00000
S10 S 0.67284 0.87587 0.04894 1.00000
S11 S 0.97852 0.65996 0.34704 1.00000
S12 S 0.32358 0.02387 0.15815 1.00000
S13 S 0.02148 0.34004 0.65296 1.00000
S14 S 0.67642 0.97613 0.84185 1.00000
S15 S 0.29941 0.63149 0.03338 1.00000
S16 S 0.39892 0.69533 0.48292 1.00000
S17 S 0.57562 0.39511 0.29082 1.00000
S18 S 0.42438 0.60489 0.70918 1.00000
