La2Er5Tm2
Alexandria ALEXAlex-ID: agm008751602 · 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
A2B2C5_984_spg2
ErTm2 LaEr2
2024-05-04 09:30:12.541150
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008751602).
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 agm008751602
data_agm008751602
_cell_length_a 9.49449
_cell_length_b 9.49449
_cell_length_c 8.85556
_cell_angle_alpha 76.34048
_cell_angle_beta 76.34048
_cell_angle_gamma 21.88508
_cell_volume 288.82314
_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 0.92407 0.92407 0.66635 1.00000
La2 La 0.07593 0.07593 0.33365 1.00000
Er1 Er 0.40516 0.40516 0.32752 1.00000
Er2 Er 0.59484 0.59484 0.67248 1.00000
Er3 Er 0.25791 0.25791 0.66567 1.00000
Er4 Er 0.74209 0.74209 0.33433 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.33090 0.33090 0.00847 1.00000
Tm2 Tm 0.66910 0.66910 0.99153 1.00000
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