Nd2Sm3S2
Alexandria ALEXAlex-ID: agm009548367 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1636_spg12
Nd3Sm5 Nd2SmS3 NdSm5
2024-06-01 20:36:08.579565
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009548367).
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 agm009548367
data_agm009548367
_cell_length_a 9.59407
_cell_length_b 9.59407
_cell_length_c 6.37244
_cell_angle_alpha 66.10272
_cell_angle_beta 66.10272
_cell_angle_gamma 23.31867
_cell_volume 211.39268
_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 0.28506 0.28506 0.20605 1.00000
Nd2 Nd 0.71494 0.71494 0.79395 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.40574 0.40574 0.60049 1.00000
Sm3 Sm 0.59426 0.59426 0.39951 1.00000
S1 S 0.85442 0.85442 0.38221 1.00000
S2 S 0.14558 0.14558 0.61779 1.00000
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