Pm8Nd3Th2
Alexandria ALEXAlex-ID: agm005649024 · 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
A2B3C8_546_spg2
Pm Pm2Nd Th
2023-06-16 23:02:06.118238
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649024).
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 agm005649024
data_agm005649024
_cell_length_a 12.28774
_cell_length_b 7.03679
_cell_length_c 21.72495
_cell_angle_alpha 85.92169
_cell_angle_beta 89.70922
_cell_angle_gamma 150.87473
_cell_volume 903.19811
_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
Pm1 Pm 0.50483 0.60694 0.09404 1.00000
Pm2 Pm 0.41861 0.43278 0.43229 1.00000
Pm3 Pm 0.29083 0.74678 0.80584 1.00000
Pm4 Pm 0.01149 0.89362 0.85520 1.00000
Pm5 Pm 0.16894 0.19694 0.28220 1.00000
Pm6 Pm 0.53776 0.08952 0.34560 1.00000
Pm7 Pm 0.99295 0.51366 0.40542 1.00000
Pm8 Pm 0.96189 0.35852 0.93469 1.00000
Pm9 Pm 0.03811 0.64148 0.06531 1.00000
Pm10 Pm 0.00705 0.48634 0.59458 1.00000
Pm11 Pm 0.70917 0.25322 0.19416 1.00000
Pm12 Pm 0.83106 0.80306 0.71780 1.00000
Pm13 Pm 0.98851 0.10638 0.14480 1.00000
Pm14 Pm 0.46224 0.91048 0.65440 1.00000
Pm15 Pm 0.58139 0.56722 0.56771 1.00000
Pm16 Pm 0.49517 0.39306 0.90596 1.00000
Nd1 Nd 0.25315 0.86066 0.22173 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Nd3 Nd 0.27858 0.15712 0.71068 1.00000
Nd4 Nd 0.72142 0.84288 0.28932 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Nd6 Nd 0.74685 0.13934 0.77827 1.00000
Th1 Th 0.49062 0.09120 0.06205 1.00000
Th2 Th 0.05657 0.03190 0.57274 1.00000
Th3 Th 0.94343 0.96810 0.42726 1.00000
Th4 Th 0.50938 0.90880 0.93795 1.00000
