Pr2NdSmTe4
Alexandria ALEXAlex-ID: agm045850198 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_37_spg42
NdTe PrTe SmTe
2025-03-13 02:13:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045850198).
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 agm045850198
data_agm045850198
_cell_length_a 7.79490
_cell_length_b 7.79490
_cell_length_c 7.79490
_cell_angle_alpha 131.76659
_cell_angle_beta 131.76659
_cell_angle_gamma 70.59792
_cell_volume 258.13707
_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 0.75000 0.25000 0.50000 1.00000
Pr2 Pr 0.25000 0.75000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.50000 0.00000 0.50000 1.00000
Te2 Te 0.00000 0.50000 0.50000 1.00000
Te3 Te 0.25187 0.25187 0.00000 1.00000
Te4 Te 0.74813 0.74813 0.00000 1.00000
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