Ho8TmSc3
Alexandria ALEXAlex-ID: agm005997474 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_355_spg1
Ho7Tm2 Ho Sc
2023-09-12 18:11:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997474).
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 agm005997474
data_agm005997474
_cell_length_a 6.52236
_cell_length_b 8.92174
_cell_length_c 7.05506
_cell_angle_alpha 113.23438
_cell_angle_beta 74.34428
_cell_angle_gamma 84.84754
_cell_volume 354.19976
_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 0.55587 0.68615 0.83007 1.00000
Ho2 Ho 0.22132 0.02919 0.83182 1.00000
Ho3 Ho 0.89099 0.35773 0.82985 1.00000
Ho4 Ho 0.22483 0.02909 0.33718 1.00000
Ho5 Ho 0.77140 0.96754 0.66424 1.00000
Ho6 Ho 0.10865 0.63294 0.16881 1.00000
Ho7 Ho 0.44363 0.30877 0.17015 1.00000
Ho8 Ho 0.77828 0.97058 0.16918 1.00000
Tm1 Tm 0.11547 0.63274 0.66078 1.00000
Sc1 Sc 0.44936 0.30528 0.66430 1.00000
Sc2 Sc 0.88086 0.36066 0.33762 1.00000
Sc3 Sc 0.55761 0.68901 0.33257 1.00000
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