Pr6ThMg
Alexandria ALEXAlex-ID: agm005774102 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_255_spg139
Pr Th PrMg
2023-07-24 23:25:02.954213
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774102).
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 agm005774102
data_agm005774102
_cell_length_a 5.96084
_cell_length_b 5.96084
_cell_length_c 8.77482
_cell_angle_alpha 70.14349
_cell_angle_beta 70.10654
_cell_angle_gamma 89.99864
_cell_volume 273.38412
_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 0.73724 0.73715 0.52569 1.00000
Pr2 Pr 0.61593 0.11587 0.76823 1.00000
Pr3 Pr 0.11606 0.61587 0.76823 1.00000
Pr4 Pr 0.38407 0.88413 0.23177 1.00000
Pr5 Pr 0.26276 0.26285 0.47431 1.00000
Pr6 Pr 0.88394 0.38413 0.23177 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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