NdS7
Alexandria ALEXAlex-ID: agm049569332 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7_279_spg2
NdS2 NdS18
2025-02-01 22:40:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm049569332).
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 agm049569332
data_agm049569332
_cell_length_a 5.44509
_cell_length_b 8.71269
_cell_length_c 18.91176
_cell_angle_alpha 78.02991
_cell_angle_beta 77.73452
_cell_angle_gamma 87.39892
_cell_volume 857.65548
_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 0.39734 0.28824 0.45486 1.00000
Nd2 Nd 0.60111 0.71098 0.54528 1.00000
Nd3 Nd 0.25356 0.75020 0.05010 1.00000
Nd4 Nd 0.74786 0.25051 0.94973 1.00000
S1 S 0.95203 0.44240 0.10318 1.00000
S2 S 0.04923 0.55825 0.89678 1.00000
S3 S 0.65631 0.58013 0.40572 1.00000
S4 S 0.67332 0.97213 0.83252 1.00000
S5 S 0.34227 0.41906 0.59446 1.00000
S6 S 0.32794 0.02865 0.16727 1.00000
S7 S 0.95108 0.97635 0.62380 1.00000
S8 S 0.04771 0.02305 0.37644 1.00000
S9 S 0.85927 0.27564 0.51539 1.00000
S10 S 0.13923 0.72350 0.48478 1.00000
S11 S 0.76668 0.88270 0.01002 1.00000
S12 S 0.23478 0.11799 0.98976 1.00000
S13 S 0.67384 0.99945 0.42217 1.00000
S14 S 0.32488 0.99987 0.57802 1.00000
S15 S 0.05625 0.03872 0.10617 1.00000
S16 S 0.70513 0.37112 0.60653 1.00000
S17 S 0.94515 0.96206 0.89358 1.00000
S18 S 0.29352 0.62814 0.39360 1.00000
S19 S 0.38249 0.55507 0.93441 1.00000
S20 S 0.61890 0.44559 0.06551 1.00000
S21 S 0.44654 0.32052 0.29892 1.00000
S22 S 0.55232 0.67864 0.70122 1.00000
S23 S 0.49932 0.81750 0.16439 1.00000
S24 S 0.50203 0.18330 0.83544 1.00000
S25 S 0.08431 0.27484 0.34465 1.00000
S26 S 0.91445 0.72455 0.65542 1.00000
S27 S 0.94323 0.57908 0.17712 1.00000
S28 S 0.05792 0.42177 0.82276 1.00000
