PrNd2Te3
Alexandria ALEXAlex-ID: agm033684083 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
NdTe PrTe
2025-01-16 08:34:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033684083).
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 agm033684083
data_agm033684083
_cell_length_a 14.85996
_cell_length_b 14.16640
_cell_length_c 7.83677
_cell_angle_alpha 79.28459
_cell_angle_beta 69.50520
_cell_angle_gamma 31.21020
_cell_volume 778.54248
_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
Pr1 Pr 0.91650 0.91650 0.08350 1.00000
Pr2 Pr 0.33350 0.33350 0.16650 1.00000
Pr3 Pr 0.16650 0.16650 0.33350 1.00000
Pr4 Pr 0.08350 0.08350 0.91650 1.00000
Nd1 Nd 0.00040 0.00040 0.49960 1.00000
Nd2 Nd 0.41610 0.41610 0.58390 1.00000
Nd3 Nd 0.83390 0.83390 0.66610 1.00000
Nd4 Nd 0.24960 0.24960 0.75040 1.00000
Nd5 Nd 0.75040 0.75040 0.24960 1.00000
Nd6 Nd 0.66610 0.66610 0.83390 1.00000
Nd7 Nd 0.58390 0.58390 0.41610 1.00000
Nd8 Nd 0.49960 0.49960 0.00040 1.00000
Te1 Te 0.66739 0.16686 0.83089 1.00000
Te2 Te 0.16686 0.66739 0.33486 1.00000
Te3 Te 0.58261 0.08314 0.41911 1.00000
Te4 Te 0.08314 0.58261 0.91514 1.00000
Te5 Te 0.50223 0.99777 0.99777 1.00000
Te6 Te 0.99777 0.50223 0.50223 1.00000
Te7 Te 0.91514 0.41911 0.08314 1.00000
Te8 Te 0.41911 0.91514 0.58261 1.00000
Te9 Te 0.33486 0.83089 0.16686 1.00000
Te10 Te 0.83089 0.33486 0.66739 1.00000
Te11 Te 0.74777 0.25223 0.25223 1.00000
Te12 Te 0.25223 0.74777 0.74777 1.00000
