Nd8S6N
Alexandria ALEXAlex-ID: agm071904166 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_374_spg1
Nd2SN Nd8S7 Nd
2024-10-06 23:37:23.610188
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071904166).
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 agm071904166
data_agm071904166
_cell_length_a 6.83653
_cell_length_b 7.89314
_cell_length_c 7.79365
_cell_angle_alpha 104.58672
_cell_angle_beta 115.66401
_cell_angle_gamma 89.99543
_cell_volume 363.97675
_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
Nd1 Nd 0.04083 0.70599 0.76619 1.00000
Nd2 Nd 0.95917 0.29401 0.23381 1.00000
Nd3 Nd 0.46560 0.56221 0.25628 1.00000
Nd4 Nd 0.57385 0.94165 0.76913 1.00000
Nd5 Nd 0.04161 0.17926 0.77665 1.00000
Nd6 Nd 0.53440 0.43779 0.74372 1.00000
Nd7 Nd 0.42615 0.05835 0.23087 1.00000
Nd8 Nd 0.95839 0.82074 0.22335 1.00000
S1 S 0.49821 0.74798 0.99896 1.00000
S2 S 0.76361 0.37442 0.51168 1.00000
S3 S 0.75314 0.87848 0.49333 1.00000
S4 S 0.50179 0.25202 0.00104 1.00000
S5 S 0.23639 0.62558 0.48832 1.00000
S6 S 0.24686 0.12152 0.50667 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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