Nd7Tm12Pu
Alexandria ALEXAlex-ID: agm005809907 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_156_spg2
Nd NdTm2 Pu
2023-07-16 15:09:09.875878
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809907).
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 agm005809907
data_agm005809907
_cell_length_a 9.68335
_cell_length_b 8.82350
_cell_length_c 10.23738
_cell_angle_alpha 73.97273
_cell_angle_beta 61.90367
_cell_angle_gamma 56.38101
_cell_volume 642.41300
_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 0.05047 0.75409 0.75905 1.00000
Nd2 Nd 0.24260 0.30770 0.85753 1.00000
Nd3 Nd 0.09421 0.80534 0.36018 1.00000
Nd4 Nd 0.50000 0.50000 0.50000 1.00000
Nd5 Nd 0.90579 0.19466 0.63982 1.00000
Nd6 Nd 0.75740 0.69230 0.14247 1.00000
Nd7 Nd 0.94953 0.24591 0.24095 1.00000
Tm1 Tm 0.82875 0.51910 0.83090 1.00000
Tm2 Tm 0.59809 0.11835 0.99005 1.00000
Tm3 Tm 0.32287 0.02019 0.33011 1.00000
Tm4 Tm 0.79502 0.62145 0.49028 1.00000
Tm5 Tm 0.34933 0.94843 0.66076 1.00000
Tm6 Tm 0.45540 0.55618 0.84503 1.00000
Tm7 Tm 0.54460 0.44382 0.15497 1.00000
Tm8 Tm 0.65067 0.05157 0.33924 1.00000
Tm9 Tm 0.20498 0.37855 0.50972 1.00000
Tm10 Tm 0.67713 0.97981 0.66989 1.00000
Tm11 Tm 0.40191 0.88165 0.00995 1.00000
Tm12 Tm 0.17125 0.48090 0.16910 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
