Ho3(ErTm)4
Alexandria ALEXAlex-ID: agm005698672 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_71_spg71
Er2Tm ErTm2 Ho7Er2
2023-06-29 22:04:39.030026
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698672).
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 agm005698672
data_agm005698672
_cell_length_a 3.48991
_cell_length_b 11.01043
_cell_length_c 10.67676
_cell_angle_alpha 121.03952
_cell_angle_beta 99.31940
_cell_angle_gamma 90.00005
_cell_volume 345.17928
_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 0.89117 0.89094 0.78188 1.00000
Ho2 Ho 0.10883 0.10906 0.21812 1.00000
Ho3 Ho 0.00000 0.50000 0.00000 1.00000
Er1 Er 0.77806 0.27889 0.55778 1.00000
Er2 Er 0.22194 0.72111 0.44222 1.00000
Er3 Er 0.50000 0.79416 1.00000 1.00000
Er4 Er 0.50000 0.20584 0.00000 1.00000
Tm1 Tm 0.67149 0.42951 0.34118 1.00000
Tm2 Tm 0.32851 0.08833 0.65882 1.00000
Tm3 Tm 0.32851 0.57049 0.65882 1.00000
Tm4 Tm 0.67149 0.91167 0.34118 1.00000
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