La6Er5Tm
Alexandria ALEXAlex-ID: agm006117946 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_84_spg12
ErTm5 La7Tm LaEr2
2023-08-29 23:15:36.432526
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117946).
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 agm006117946
data_agm006117946
_cell_length_a 6.13914
_cell_length_b 7.41683
_cell_length_c 9.63400
_cell_angle_alpha 67.32353
_cell_angle_beta 86.54719
_cell_angle_gamma 89.97566
_cell_volume 403.89583
_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
Er1 Er 0.66647 0.16666 0.66665 1.00000
Er2 Er 0.33374 0.33333 0.33342 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
Er4 Er 0.66626 0.66667 0.66658 1.00000
Er5 Er 0.33353 0.83334 0.33335 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
La1 La 0.83386 0.58364 0.33301 1.00000
La2 La 0.83387 0.08341 0.33303 1.00000
La3 La 0.50001 0.75025 0.99999 1.00000
La4 La 0.49999 0.24975 0.00001 1.00000
La5 La 0.16613 0.91659 0.66697 1.00000
La6 La 0.16614 0.41636 0.66699 1.00000
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