Tb2Ho5Th4
Alexandria ALEXAlex-ID: agm005653630 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_772_spg12
Tb3Ho3Th2 Ho2Th HoTh
2023-06-24 08:57:36.039652
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653630).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005653630
data_agm005653630
_cell_length_a 3.49622
_cell_length_b 8.85022
_cell_length_c 11.59080
_cell_angle_alpha 96.31915
_cell_angle_beta 89.99899
_cell_angle_gamma 101.38246
_cell_volume 349.36875
_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 0.63555 0.27115 0.82426 1.00000
Tb2 Tb 0.36445 0.72885 0.17574 1.00000
Ho1 Ho 0.04051 0.08219 0.28466 1.00000
Ho2 Ho 0.95949 0.91781 0.71534 1.00000
Ho3 Ho 0.40680 0.81324 0.45336 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.59320 0.18676 0.54664 1.00000
Th1 Th 0.73266 0.46531 0.35839 1.00000
Th2 Th 0.18009 0.36003 0.08562 1.00000
Th3 Th 0.26734 0.53469 0.64161 1.00000
Th4 Th 0.81991 0.63997 0.91438 1.00000
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