Ho2TlO
Alexandria ALEXAlex-ID: agm005688071 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_61_spg129
Ho5Tl3 Ho5Tl4 Ho2O3
2023-07-13 05:51:46.277070
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688071).
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 agm005688071
data_agm005688071
_cell_length_a 4.50896
_cell_length_b 4.50896
_cell_length_c 8.74041
_cell_angle_alpha 90.10860
_cell_angle_beta 90.10861
_cell_angle_gamma 90.00031
_cell_volume 177.69841
_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 0.75091 0.75091 0.82922 1.00000
Ho2 Ho 0.74995 0.25005 0.50000 1.00000
Ho3 Ho 0.24909 0.24909 0.17078 1.00000
Ho4 Ho 0.25005 0.74995 0.50000 1.00000
Tl1 Tl 0.25104 0.25104 0.80231 1.00000
Tl2 Tl 0.74896 0.74896 0.19769 1.00000
O1 O 0.24955 0.24955 0.43036 1.00000
O2 O 0.75045 0.75045 0.56964 1.00000
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