Y2Tm5Th4
Alexandria ALEXAlex-ID: agm005652686 · 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
A2B4C5_541_spg12
Y5Tm YTmTh2 Tm2Th
2023-06-22 19:04:27.955807
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652686).
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 agm005652686
data_agm005652686
_cell_length_a 3.55791
_cell_length_b 9.30429
_cell_length_c 11.80279
_cell_angle_alpha 106.91295
_cell_angle_beta 81.40954
_cell_angle_gamma 112.40925
_cell_volume 345.26166
_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
Y1 Y 0.86869 0.27799 0.81859 1.00000
Y2 Y 0.13131 0.72201 0.18141 1.00000
Tm1 Tm 0.96016 0.09671 0.27331 1.00000
Tm2 Tm 0.03984 0.90329 0.72669 1.00000
Tm3 Tm 0.58695 0.81537 0.45707 1.00000
Tm4 Tm 0.50000 0.00000 0.00000 1.00000
Tm5 Tm 0.41305 0.18463 0.54293 1.00000
Th1 Th 0.77093 0.45297 0.36486 1.00000
Th2 Th 0.31555 0.36175 0.09237 1.00000
Th3 Th 0.22907 0.54703 0.63514 1.00000
Th4 Th 0.68445 0.63825 0.90763 1.00000
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