Nd3Tm4PuSe8
Alexandria ALEXAlex-ID: agm045890136 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_63_spg12
Tm3PuSe4 NdTmSe2 Tm2Pu3Se5
2024-12-09 16:11:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045890136).
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 agm045890136
data_agm045890136
_cell_length_a 8.30129
_cell_length_b 8.30129
_cell_length_c 8.30129
_cell_angle_alpha 58.86092
_cell_angle_beta 58.86092
_cell_angle_gamma 58.86092
_cell_volume 393.98466
_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 0.00000 0.00000 0.50000 1.00000
Nd2 Nd 0.50000 0.00000 0.00000 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Tm3 Tm 0.50000 0.50000 0.00000 1.00000
Tm4 Tm 0.00000 0.50000 0.50000 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.74116 0.24606 0.24606 1.00000
Se2 Se 0.24606 0.24606 0.74116 1.00000
Se3 Se 0.25669 0.25669 0.25669 1.00000
Se4 Se 0.24606 0.74116 0.24606 1.00000
Se5 Se 0.75394 0.25884 0.75394 1.00000
Se6 Se 0.74331 0.74331 0.74331 1.00000
Se7 Se 0.75394 0.75394 0.25884 1.00000
Se8 Se 0.25884 0.75394 0.75394 1.00000
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