Nd2Y3S4
Alexandria ALEXAlex-ID: agm005688324 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Nd4YS5 Y4S3 NdY8
2023-06-29 02:11:07.424171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688324).
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
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# CIF generated by HEAS from Alexandria entry agm005688324
data_agm005688324
_cell_length_a 3.92760
_cell_length_b 6.80869
_cell_length_c 8.90043
_cell_angle_alpha 74.68636
_cell_angle_beta 77.25330
_cell_angle_gamma 73.23626
_cell_volume 217.10097
_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 0.59943 0.20359 0.59755 1.00000
Nd2 Nd 0.40057 0.79641 0.40245 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.20516 0.39389 0.19579 1.00000
Y3 Y 0.79484 0.60611 0.80421 1.00000
S1 S 0.80159 0.10448 0.29233 1.00000
S2 S 0.19841 0.89552 0.70767 1.00000
S3 S 0.39635 0.30258 0.90472 1.00000
S4 S 0.60365 0.69742 0.09528 1.00000
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