Nd3Y(PuTe3)2
Alexandria ALEXAlex-ID: agm044665175 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_1_spg12
Nd2PuTe3 NdYTe2 YPuTe2
2025-02-06 20:15:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044665175).
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}
}
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# CIF generated by HEAS from Alexandria entry agm044665175
data_agm044665175
_cell_length_a 7.67563
_cell_length_b 7.67563
_cell_length_c 7.77568
_cell_angle_alpha 80.52279
_cell_angle_beta 99.47721
_cell_angle_gamma 60.01863
_cell_volume 374.68631
_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 0.16860 0.16860 0.00000 1.00000
Nd2 Nd 0.83140 0.83140 0.00000 1.00000
Nd3 Nd 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.33375 0.33375 0.50000 1.00000
Pu2 Pu 0.66625 0.66625 0.50000 1.00000
Te1 Te 0.41144 0.91973 0.74135 1.00000
Te2 Te 0.24941 0.75059 0.25559 1.00000
Te3 Te 0.58856 0.08027 0.25865 1.00000
Te4 Te 0.08027 0.58856 0.74135 1.00000
Te5 Te 0.75059 0.24941 0.74441 1.00000
Te6 Te 0.91973 0.41144 0.25865 1.00000
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