Pr2Nd3Te5
Alexandria ALEXAlex-ID: agm041925793 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_584_spg12
NdTe PrTe
2025-01-19 11:07:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041925793).
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 agm041925793
data_agm041925793
_cell_length_a 7.81969
_cell_length_b 7.81969
_cell_length_c 11.10140
_cell_angle_alpha 61.66658
_cell_angle_beta 118.33342
_cell_angle_gamma 146.59023
_cell_volume 324.66174
_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 0.60075 0.39925 0.89960 1.00000
Pr2 Pr 0.39925 0.60075 0.10040 1.00000
Nd1 Nd 0.00000 0.00000 0.50000 1.00000
Nd2 Nd 0.80136 0.19864 0.70046 1.00000
Nd3 Nd 0.19864 0.80136 0.29954 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.39935 0.60065 0.59828 1.00000
Te3 Te 0.60065 0.39935 0.40172 1.00000
Te4 Te 0.20054 0.79946 0.79754 1.00000
Te5 Te 0.79946 0.20054 0.20246 1.00000
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