Pr3(NdTe3)2
Alexandria ALEXAlex-ID: agm005604639 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_107_spg12
Pr2(NdTe2)3 Pr5Te6
2023-06-13 00:34:10.019363
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604639).
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 agm005604639
data_agm005604639
_cell_length_a 7.79702
_cell_length_b 7.77395
_cell_length_c 7.76276
_cell_angle_alpha 80.30681
_cell_angle_beta 70.38197
_cell_angle_gamma 59.90180
_cell_volume 383.45569
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.33157 0.33687 1.00000 1.00000
Pr3 Pr 0.66843 0.66313 0.00000 1.00000
Nd1 Nd 0.16462 0.67076 0.50000 1.00000
Nd2 Nd 0.83538 0.32924 0.50000 1.00000
Te1 Te 0.42031 0.67602 0.74103 1.00000
Te2 Te 0.74252 0.00000 0.74207 1.00000
Te3 Te 0.09633 0.32398 0.74103 1.00000
Te4 Te 0.25748 1.00000 0.25793 1.00000
Te5 Te 0.57969 0.32398 0.25897 1.00000
Te6 Te 0.90367 0.67602 0.25897 1.00000
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