PmEr2Th3
Alexandria ALEXAlex-ID: agm005679182 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_845_spg15
Er2Th Pm Th
2023-08-24 06:29:54.380553
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679182).
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 agm005679182
data_agm005679182
_cell_length_a 6.19665
_cell_length_b 7.10843
_cell_length_c 9.43544
_cell_angle_alpha 112.12865
_cell_angle_beta 90.03954
_cell_angle_gamma 90.00000
_cell_volume 385.00222
_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 0.75000 0.86916 0.00000 1.00000
Pm2 Pm 0.25000 0.13084 1.00000 1.00000
Er1 Er 0.58312 0.95706 0.66156 1.00000
Er2 Er 0.08312 0.70451 0.66156 1.00000
Er3 Er 0.91688 0.29549 0.33844 1.00000
Er4 Er 0.41688 0.04294 0.33844 1.00000
Th1 Th 0.25000 0.62068 0.00000 1.00000
Th2 Th 0.75000 0.37932 1.00000 1.00000
Th3 Th 0.91838 0.78669 0.33304 1.00000
Th4 Th 0.58162 0.45366 0.66696 1.00000
Th5 Th 0.41838 0.54634 0.33304 1.00000
Th6 Th 0.08162 0.21331 0.66696 1.00000
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