Nd2Pu(SeN)2
Alexandria ALEXAlex-ID: agm023251007 · 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
AB2C2D2_13_spg12
Nd4Se3N2 Pu2SeN2
2024-09-30 16:08:51.705218
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023251007).
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 agm023251007
data_agm023251007
_cell_length_a 6.45548
_cell_length_b 6.45548
_cell_length_c 7.23710
_cell_angle_alpha 60.05771
_cell_angle_beta 60.05771
_cell_angle_gamma 35.92789
_cell_volume 150.64715
_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 0.19443 0.19443 0.75556 1.00000
Nd2 Nd 0.80557 0.80557 0.24444 1.00000
Pu1 Pu 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.57053 0.57053 0.16058 1.00000
Se2 Se 0.42947 0.42947 0.83942 1.00000
N1 N 0.18515 0.18515 0.42821 1.00000
N2 N 0.81485 0.81485 0.57179 1.00000
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