Pm3(ErRu)4
Alexandria ALEXAlex-ID: agm003377553 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_3_spg71
Er5Ru2 Pm5Ru2 Er4Ru3
2022-02-09 06:25:11.491902
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003377553).
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 agm003377553
data_agm003377553
_cell_length_a 3.62867
_cell_length_b 8.96722
_cell_length_c 9.38361
_cell_angle_alpha 118.54264
_cell_angle_beta 101.14845
_cell_angle_gamma 90.00000
_cell_volume 261.64679
_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 0.09993 0.09993 0.19985 1.00000
Pm2 Pm 0.90007 0.90007 0.80015 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Er1 Er 0.33365 0.14464 0.66731 1.00000
Er2 Er 0.66635 0.47733 0.33269 1.00000
Er3 Er 0.66635 0.85536 0.33269 1.00000
Er4 Er 0.33365 0.52267 0.66731 1.00000
Ru1 Ru 0.25274 0.75274 0.50549 1.00000
Ru2 Ru 0.74726 0.24726 0.49451 1.00000
Ru3 Ru 0.50000 0.77115 0.00000 1.00000
Ru4 Ru 0.50000 0.22885 1.00000 1.00000
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