ErTm5Mg6
Alexandria ALEXAlex-ID: agm006114441 · 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
ErTm3Mg4 TmMg
2023-08-31 18:50:22.875048
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114441).
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 agm006114441
data_agm006114441
_cell_length_a 5.32862
_cell_length_b 7.45730
_cell_length_c 8.42685
_cell_angle_alpha 89.99981
_cell_angle_beta 71.56862
_cell_angle_gamma 89.99937
_cell_volume 317.68166
_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 0.83307 0.74972 0.33391 1.00000
Mg2 Mg 0.83302 0.25028 0.33391 1.00000
Mg3 Mg 0.50005 0.25016 0.00000 1.00000
Mg4 Mg 0.49995 0.74984 1.00000 1.00000
Mg5 Mg 0.16698 0.74972 0.66609 1.00000
Mg6 Mg 0.16693 0.25028 0.66609 1.00000
Tm1 Tm 0.66642 0.50000 0.66717 1.00000
Tm2 Tm 0.33314 0.00000 0.33372 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
Tm4 Tm 0.66686 1.00000 0.66628 1.00000
Tm5 Tm 0.33358 0.50000 0.33283 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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