Pm8Er3Tm2
Alexandria ALEXAlex-ID: agm003357331 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_150_spg65
PmEr2 Pm PmTm2
2022-02-03 09:52:10.927548
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003357331).
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
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# CIF generated by HEAS from Alexandria entry agm003357331
data_agm003357331
_cell_length_a 5.69312
_cell_length_b 7.70953
_cell_length_c 10.79237
_cell_angle_alpha 110.92681
_cell_angle_beta 90.01345
_cell_angle_gamma 90.00000
_cell_volume 442.44543
_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 0.00043 0.67289 0.34578 1.00000
Pm2 Pm 0.99957 0.32711 0.65422 1.00000
Pm3 Pm 0.99971 0.13107 0.26215 1.00000
Pm4 Pm 0.00029 0.86893 0.73785 1.00000
Pm5 Pm 0.49993 0.59876 0.78703 1.00000
Pm6 Pm 0.49993 0.18827 0.78703 1.00000
Pm7 Pm 0.50007 0.81173 0.21297 1.00000
Pm8 Pm 0.50007 0.40124 0.21297 1.00000
Er1 Er 0.50000 0.00000 0.00000 1.00000
Er2 Er 0.00000 0.28613 0.00000 1.00000
Er3 Er 1.00000 0.71387 1.00000 1.00000
Tm1 Tm 0.49942 0.23966 0.47931 1.00000
Tm2 Tm 0.50058 0.76034 0.52069 1.00000
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