Ho5ErTm3
Alexandria ALEXAlex-ID: agm005961998 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_28_spg15
Ho7Er2 HoTm2
2023-07-31 22:11:12.506599
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961998).
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 agm005961998
data_agm005961998
_cell_length_a 7.56615
_cell_length_b 9.29232
_cell_length_c 10.71236
_cell_angle_alpha 106.80547
_cell_angle_beta 90.00000
_cell_angle_gamma 114.02394
_cell_volume 652.53919
_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 0.25456 0.00000 0.75000 1.00000
Ho2 Ho 0.58518 0.66701 0.91913 1.00000
Ho3 Ho 0.91372 0.33082 0.08460 1.00000
Ho4 Ho 0.41482 0.33299 0.08087 1.00000
Ho5 Ho 0.58290 0.66918 0.41540 1.00000
Ho6 Ho 0.74544 0.00000 0.25000 1.00000
Ho7 Ho 0.08183 0.66701 0.41913 1.00000
Ho8 Ho 0.91817 0.33299 0.58087 1.00000
Ho9 Ho 0.41710 0.33082 0.58460 1.00000
Ho10 Ho 0.08628 0.66918 0.91540 1.00000
Er1 Er 0.75223 0.00000 0.75000 1.00000
Er2 Er 0.24777 0.00000 0.25000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.66284 0.33492 0.33347 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.33716 0.66508 0.66653 1.00000
Tm5 Tm 0.67209 0.33492 0.83347 1.00000
Tm6 Tm 0.32791 0.66508 0.16653 1.00000
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