Nd2Dy2In2S
Alexandria ALEXAlex-ID: agm024110894 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_46_spg12
Nd2In Nd6InS4 NdIn Dy5In3S
2025-05-22 12:20:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024110894).
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 agm024110894
data_agm024110894
_cell_length_a 3.97467
_cell_length_b 6.72464
_cell_length_c 8.06485
_cell_angle_alpha 76.97166
_cell_angle_beta 75.71732
_cell_angle_gamma 72.81245
_cell_volume 196.84060
_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 0.09459 0.16552 0.64566 1.00000
Nd2 Nd 0.90541 0.83448 0.35434 1.00000
Dy1 Dy 0.66089 0.73822 0.93972 1.00000
Dy2 Dy 0.33911 0.26178 0.06028 1.00000
In1 In 0.62944 0.41396 0.32794 1.00000
In2 In 0.37056 0.58604 0.67206 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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