La4Ho5Tm2
Alexandria ALEXAlex-ID: agm005646318 · 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_723_spg12
LaHoTm La7Tm LaHo2
2023-06-21 23:19:12.060979
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646318).
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 agm005646318
data_agm005646318
_cell_length_a 3.67174
_cell_length_b 9.60616
_cell_length_c 12.15379
_cell_angle_alpha 66.64290
_cell_angle_beta 81.30361
_cell_angle_gamma 67.54410
_cell_volume 363.70945
_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 0.20124 0.11730 0.36425 1.00000
La2 La 0.66662 0.29239 0.08110 1.00000
La3 La 0.79876 0.88270 0.63575 1.00000
La4 La 0.33338 0.70761 0.91890 1.00000
Ho1 Ho 0.99527 0.13030 0.74860 1.00000
Ho2 Ho 0.00473 0.86970 0.25140 1.00000
Ho3 Ho 0.59167 0.65718 0.50171 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.40833 0.34282 0.49829 1.00000
Tm1 Tm 0.83576 0.55358 0.22119 1.00000
Tm2 Tm 0.16424 0.44642 0.77881 1.00000
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