Ho5(ErTm6)2
Alexandria ALEXAlex-ID: agm005665221 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_341_spg2
ErTm5 Ho7Er2 HoTm2
2023-06-27 12:27:17.989736
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665221).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005665221
data_agm005665221
_cell_length_a 6.39943
_cell_length_b 8.73184
_cell_length_c 11.68816
_cell_angle_alpha 115.41629
_cell_angle_beta 99.24319
_cell_angle_gamma 81.59724
_cell_volume 580.06139
_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
Ho1 Ho 0.48616 0.67158 0.78056 1.00000
Ho2 Ho 0.19941 0.70879 0.19615 1.00000
Ho3 Ho 0.00000 0.00000 0.50000 1.00000
Ho4 Ho 0.80059 0.29121 0.80385 1.00000
Ho5 Ho 0.51384 0.32842 0.21944 1.00000
Er1 Er 0.73615 0.01440 0.96048 1.00000
Er2 Er 0.26385 0.98560 0.03952 1.00000
Tm1 Tm 0.94863 0.11303 0.26918 1.00000
Tm2 Tm 0.03266 0.62834 0.86905 1.00000
Tm3 Tm 0.66786 0.70671 0.07790 1.00000
Tm4 Tm 0.22126 0.55808 0.45899 1.00000
Tm5 Tm 0.70238 0.68957 0.36186 1.00000
Tm6 Tm 0.52193 0.93667 0.63820 1.00000
Tm7 Tm 0.47807 0.06333 0.36180 1.00000
Tm8 Tm 0.77874 0.44192 0.54101 1.00000
Tm9 Tm 0.29762 0.31043 0.63814 1.00000
Tm10 Tm 0.96734 0.37166 0.13095 1.00000
Tm11 Tm 0.33214 0.29329 0.92210 1.00000
Tm12 Tm 0.05137 0.88697 0.73082 1.00000
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