Nd2DyMnS5
Alexandria ALEXAlex-ID: agm005159679 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
Nd2S3 NdDyS3 Mn MnS
2023-01-19 13:53:03.367360
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159679).
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 agm005159679
data_agm005159679
_cell_length_a 3.92859
_cell_length_b 8.52599
_cell_length_c 11.99092
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.31999
_cell_volume 390.83305
_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 0.87767 0.75534 0.84269 1.00000
Nd2 Nd 0.11849 0.23697 0.69156 1.00000
Nd3 Nd 0.12233 0.24466 0.34269 1.00000
Nd4 Nd 0.88151 0.76303 0.19156 1.00000
Dy1 Dy 0.81566 0.63131 0.52459 1.00000
Dy2 Dy 0.18434 0.36869 0.02459 1.00000
Mn1 Mn 0.55027 0.10054 0.92753 1.00000
Mn2 Mn 0.44973 0.89946 0.42753 1.00000
S1 S 0.34698 0.69395 0.01639 1.00000
S2 S 0.68765 0.37530 0.86092 1.00000
S3 S 0.49331 0.98661 0.75406 1.00000
S4 S 0.30060 0.60121 0.68428 1.00000
S5 S 0.98257 0.96514 0.52195 1.00000
S6 S 0.65302 0.30605 0.51639 1.00000
S7 S 0.31235 0.62470 0.36092 1.00000
S8 S 0.50669 0.01339 0.25406 1.00000
S9 S 0.69940 0.39879 0.18428 1.00000
S10 S 0.01743 0.03486 0.02195 1.00000
Get direct link