Pr6NdTh
Alexandria ALEXAlex-ID: agm005779466 · 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
ABC6_257_spg12
Pr PrNd2 Th
2023-07-25 01:49:08.497217
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779466).
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 agm005779466
data_agm005779466
_cell_length_a 6.90406
_cell_length_b 6.71193
_cell_length_c 6.99897
_cell_angle_alpha 90.47745
_cell_angle_beta 60.44731
_cell_angle_gamma 90.97145
_cell_volume 282.09460
_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
Pr1 Pr 0.08535 0.74722 0.49149 1.00000
Pr2 Pr 0.57684 0.74722 0.50851 1.00000
Pr3 Pr 0.42316 0.25278 0.49149 1.00000
Pr4 Pr 0.91465 0.25278 0.50851 1.00000
Pr5 Pr 0.53912 0.74308 1.00000 1.00000
Pr6 Pr 0.46088 0.25692 0.00000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.00000 0.50000 0.00000 1.00000
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