NdPuSe2
Alexandria ALEXAlex-ID: agm078309543 · 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
ABC2_12342_spg12
NdPuSe2
2025-01-10 03:50:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078309543).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm078309543
data_agm078309543
_cell_length_a 7.24792
_cell_length_b 7.24792
_cell_length_c 7.26474
_cell_angle_alpha 80.37995
_cell_angle_beta 99.62005
_cell_angle_gamma 60.04607
_cell_volume 311.66974
_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 0.83553 0.83553 0.50000 1.00000
Nd2 Nd 0.16447 0.16447 0.50000 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.66883 0.66883 0.00000 1.00000
Pu2 Pu 0.33117 0.33117 0.00000 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.42127 0.91209 0.24796 1.00000
Se2 Se 0.57873 0.08791 0.75204 1.00000
Se3 Se 0.91209 0.42127 0.75204 1.00000
Se4 Se 0.08791 0.57873 0.24796 1.00000
Se5 Se 0.73824 0.26176 0.24595 1.00000
Se6 Se 0.26176 0.73824 0.75405 1.00000
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