La2Pr2Tm5
Alexandria ALEXAlex-ID: agm005565521 · 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_575_spg12
La3Pr5 PrTm2 LaTm2
2023-06-02 22:33:26.489904
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565521).
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 agm005565521
data_agm005565521
_cell_length_a 3.49070
_cell_length_b 9.84404
_cell_length_c 12.32737
_cell_angle_alpha 133.52083
_cell_angle_beta 98.13936
_cell_angle_gamma 90.00013
_cell_volume 301.25091
_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 0.83396 0.88647 0.66792 1.00000
La2 La 0.16604 0.11353 0.33208 1.00000
Pr1 Pr 0.49477 0.67800 0.98954 1.00000
Pr2 Pr 0.50523 0.32200 0.01046 1.00000
Tm1 Tm 0.67179 0.80226 0.34358 1.00000
Tm2 Tm 0.32821 0.19774 0.65642 1.00000
Tm3 Tm 0.82757 0.51889 0.65513 1.00000
Tm4 Tm 0.17243 0.48111 0.34487 1.00000
Tm5 Tm 0.00000 0.00000 0.00000 1.00000
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