Tb8(HoSc)3
Alexandria ALEXAlex-ID: agm005691406 · 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
A3B3C8_62_spg12
Tb5Ho Tb2Ho Tb2HoSc5
2023-06-29 12:27:51.348262
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691406).
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 agm005691406
data_agm005691406
_cell_length_a 5.47557
_cell_length_b 8.53267
_cell_length_c 11.65419
_cell_angle_alpha 56.47275
_cell_angle_beta 76.41317
_cell_angle_gamma 71.28517
_cell_volume 428.75785
_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 0.65970 0.01920 0.66139 1.00000
Tb2 Tb 0.34030 0.98080 0.33861 1.00000
Tb3 Tb 0.68600 0.33891 0.28908 1.00000
Tb4 Tb 0.31400 0.66109 0.71091 1.00000
Tb5 Tb 0.87662 0.75771 0.48905 1.00000
Tb6 Tb 0.12338 0.24229 0.51095 1.00000
Tb7 Tb 0.73224 0.60800 0.92753 1.00000
Tb8 Tb 0.26776 0.39200 0.07247 1.00000
Ho1 Ho 0.50000 1.00000 0.00000 1.00000
Ho2 Ho 0.04997 0.67581 0.22424 1.00000
Ho3 Ho 0.95003 0.32419 0.77576 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
Sc2 Sc 0.87922 0.12524 0.11634 1.00000
Sc3 Sc 0.12078 0.87476 0.88366 1.00000
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