TbPmY5Ho2
Alexandria ALEXAlex-ID: agm005154580 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Tb5YHo12 Tb(PmY3)2 TbPmHo4 Y5Ho
2023-01-19 17:30:20.972961
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154580).
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 agm005154580
data_agm005154580
_cell_length_a 5.63170
_cell_length_b 10.43940
_cell_length_c 10.52693
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.64837
_cell_volume 595.95480
_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
Tb1 Tb 0.58638 0.17276 0.95007 1.00000
Tb2 Tb 0.41362 0.82724 0.45007 1.00000
Pm1 Pm 0.80269 0.60539 0.51380 1.00000
Pm2 Pm 0.19731 0.39461 0.01380 1.00000
Y1 Y 0.38873 0.77746 0.02464 1.00000
Y2 Y 0.72130 0.44259 0.81475 1.00000
Y3 Y 0.47833 0.95667 0.73704 1.00000
Y4 Y 0.30045 0.60091 0.70548 1.00000
Y5 Y 0.98343 0.96687 0.52317 1.00000
Y6 Y 0.61127 0.22254 0.52464 1.00000
Y7 Y 0.27870 0.55741 0.31475 1.00000
Y8 Y 0.52167 0.04333 0.23704 1.00000
Y9 Y 0.69955 0.39909 0.20548 1.00000
Y10 Y 0.01657 0.03313 0.02317 1.00000
Ho1 Ho 0.88728 0.77455 0.81926 1.00000
Ho2 Ho 0.11064 0.22127 0.73577 1.00000
Ho3 Ho 0.11272 0.22545 0.31926 1.00000
Ho4 Ho 0.88936 0.77873 0.23577 1.00000
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