Pm2Pr8Th
Alexandria ALEXAlex-ID: agm005993822 · 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
AB2C8_278_spg12
Pm2Pr Pr Th
2023-09-29 16:26:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993822).
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 agm005993822
data_agm005993822
_cell_length_a 5.21650
_cell_length_b 8.26487
_cell_length_c 9.76641
_cell_angle_alpha 104.68596
_cell_angle_beta 105.48959
_cell_angle_gamma 89.99998
_cell_volume 391.47922
_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 0.22779 0.63563 0.45559 1.00000
Pm2 Pm 0.77221 0.36437 0.54441 1.00000
Pr1 Pr 0.59082 0.45017 0.18165 1.00000
Pr2 Pr 0.32022 0.09046 0.64045 1.00000
Pr3 Pr 0.13425 0.17907 0.26850 1.00000
Pr4 Pr 0.04446 0.73444 0.08893 1.00000
Pr5 Pr 0.86575 0.82093 0.73150 1.00000
Pr6 Pr 0.67978 0.90954 0.35955 1.00000
Pr7 Pr 0.40918 0.54983 0.81835 1.00000
Pr8 Pr 0.95554 0.26556 0.91107 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
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