Nd3Sm2Te5
Alexandria ALEXAlex-ID: agm044170763 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_230_spg12
SmTe NdTe
2025-03-07 20:25:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044170763).
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 agm044170763
data_agm044170763
_cell_length_a 7.75348
_cell_length_b 7.75348
_cell_length_c 11.02093
_cell_angle_alpha 61.66087
_cell_angle_beta 118.33913
_cell_angle_gamma 146.56746
_cell_volume 317.03884
_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 0.00000 0.00000 0.50000 1.00000
Nd2 Nd 0.79741 0.20259 0.69863 1.00000
Nd3 Nd 0.20259 0.79741 0.30137 1.00000
Sm1 Sm 0.59872 0.40128 0.90054 1.00000
Sm2 Sm 0.40128 0.59872 0.09946 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.40125 0.59875 0.60320 1.00000
Te3 Te 0.59875 0.40125 0.39680 1.00000
Te4 Te 0.19921 0.80079 0.80421 1.00000
Te5 Te 0.80079 0.19921 0.19579 1.00000
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