Er6Mg5Pb
Alexandria ALEXAlex-ID: agm006113777 · 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_95_spg12
ErMg3 ErMg Er5Pb3
2023-09-17 13:13:59.207688
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113777).
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 agm006113777
data_agm006113777
_cell_length_a 5.33013
_cell_length_b 7.46545
_cell_length_c 8.45131
_cell_angle_alpha 89.99754
_cell_angle_beta 71.76369
_cell_angle_gamma 89.99292
_cell_volume 319.40223
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.66439 0.50000 0.66960 1.00000
Mg2 Mg 0.32708 1.00000 0.34454 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.67292 0.00000 0.65546 1.00000
Mg5 Mg 0.33561 0.50000 0.33040 1.00000
Er1 Er 0.83153 0.74533 0.33700 1.00000
Er2 Er 0.83153 0.25467 0.33700 1.00000
Er3 Er 0.50000 0.25271 1.00000 1.00000
Er4 Er 0.50000 0.74729 0.00000 1.00000
Er5 Er 0.16847 0.74533 0.66300 1.00000
Er6 Er 0.16847 0.25467 0.66300 1.00000
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