LaEr2Tm7
Alexandria ALEXAlex-ID: agm005855729 · 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
AB2C7_233_spg65
ErTm5 La7Tm LaEr2
2023-07-30 15:25:49.892064
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005855729).
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 agm005855729
data_agm005855729
_cell_length_a 9.43774
_cell_length_b 9.43774
_cell_length_c 5.44753
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 128.41584
_cell_volume 380.17771
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.26800 0.73200 0.50000 1.00000
Er2 Er 0.73200 0.26800 0.50000 1.00000
Tm1 Tm 0.39939 0.60061 0.00000 1.00000
Tm2 Tm 0.60061 0.39939 0.00000 1.00000
Tm3 Tm 0.90687 0.70621 0.50000 1.00000
Tm4 Tm 0.09313 0.29379 0.50000 1.00000
Tm5 Tm 0.70621 0.90687 0.50000 1.00000
Tm6 Tm 0.29379 0.09313 0.50000 1.00000
Tm7 Tm 0.50000 0.50000 0.50000 1.00000
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