Nd2SmTe3
Alexandria ALEXAlex-ID: agm033304667 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
SmTe NdTe
2025-03-09 08:43:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033304667).
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 agm033304667
data_agm033304667
_cell_length_a 14.75990
_cell_length_b 14.07198
_cell_length_c 7.78616
_cell_angle_alpha 79.27213
_cell_angle_beta 69.50948
_cell_angle_gamma 31.21838
_cell_volume 763.51356
_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 0.49931 0.49931 0.00069 1.00000
Nd2 Nd 0.91788 0.91788 0.08212 1.00000
Nd3 Nd 0.33212 0.33212 0.16788 1.00000
Nd4 Nd 0.75069 0.75069 0.24931 1.00000
Nd5 Nd 0.24931 0.24931 0.75069 1.00000
Nd6 Nd 0.16788 0.16788 0.33212 1.00000
Nd7 Nd 0.08212 0.08212 0.91788 1.00000
Nd8 Nd 0.00069 0.00069 0.49931 1.00000
Sm1 Sm 0.41713 0.41713 0.58287 1.00000
Sm2 Sm 0.83287 0.83287 0.66713 1.00000
Sm3 Sm 0.66713 0.66713 0.83287 1.00000
Sm4 Sm 0.58287 0.58287 0.41713 1.00000
Te1 Te 0.16541 0.66615 0.33769 1.00000
Te2 Te 0.66615 0.16541 0.83075 1.00000
Te3 Te 0.08459 0.58385 0.91231 1.00000
Te4 Te 0.58385 0.08459 0.41925 1.00000
Te5 Te 0.99610 0.50390 0.50390 1.00000
Te6 Te 0.50390 0.99610 0.99610 1.00000
Te7 Te 0.41925 0.91231 0.58385 1.00000
Te8 Te 0.91231 0.41925 0.08459 1.00000
Te9 Te 0.83075 0.33769 0.66615 1.00000
Te10 Te 0.33769 0.83075 0.16541 1.00000
Te11 Te 0.25390 0.74610 0.74610 1.00000
Te12 Te 0.74610 0.25390 0.25390 1.00000
