Pm6ErMg5
Alexandria ALEXAlex-ID: agm006114497 · 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
AB5C6_47_spg65
PmEr2 Pm PmMg
2023-08-31 15:39:23.378799
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114497).
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 agm006114497
data_agm006114497
_cell_length_a 5.49376
_cell_length_b 7.76879
_cell_length_c 8.74364
_cell_angle_alpha 90.00007
_cell_angle_beta 108.24054
_cell_angle_gamma 89.99999
_cell_volume 354.42540
_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
Mg1 Mg 0.66391 0.49999 0.33403 1.00000
Mg2 Mg 0.34087 0.99999 0.67650 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.65913 0.00001 0.32350 1.00000
Mg5 Mg 0.33609 0.50001 0.66597 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.83231 0.74797 0.66037 1.00000
Pm2 Pm 0.83231 0.25203 0.66038 1.00000
Pm3 Pm 0.49999 0.25994 0.99999 1.00000
Pm4 Pm 0.50001 0.74006 0.00001 1.00000
Pm5 Pm 0.16769 0.74797 0.33962 1.00000
Pm6 Pm 0.16769 0.25203 0.33963 1.00000
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