La2Tm2Th2Tl
Alexandria ALEXAlex-ID: agm018565600 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_673_spg12
La3Tl LaTh4 Tm2Th La5Tl3
2025-06-23 20:46:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018565600).
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 agm018565600
data_agm018565600
_cell_length_a 3.60712
_cell_length_b 3.60712
_cell_length_c 17.08813
_cell_angle_alpha 83.90808
_cell_angle_beta 96.09192
_cell_angle_gamma 89.97872
_cell_volume 219.82019
_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 0.29455 0.70545 0.09093 1.00000
La2 La 0.70545 0.29455 0.90907 1.00000
Tm1 Tm 0.43883 0.56117 0.37731 1.00000
Tm2 Tm 0.56117 0.43883 0.62269 1.00000
Th1 Th 0.13104 0.86896 0.76172 1.00000
Th2 Th 0.86896 0.13104 0.23828 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
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