TbDy2HoTl2
Alexandria ALEXAlex-ID: agm048769445 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_30_spg26
Dy5(HoTl)4 Dy9Tl4 Dy3Ho2Tl3 Tb5Tl3
2024-11-27 01:16:37.314750
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048769445).
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 agm048769445
data_agm048769445
_cell_length_a 5.09670
_cell_length_b 6.78773
_cell_length_c 9.99713
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 345.85083
_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 0.50000 0.18355 0.31423 1.00000
Tb2 Tb 0.50000 0.68355 0.68577 1.00000
Dy1 Dy 0.50000 0.05328 0.95995 1.00000
Dy2 Dy 0.00000 0.33195 0.81209 1.00000
Dy3 Dy 0.50000 0.55328 0.04005 1.00000
Dy4 Dy 0.00000 0.83195 0.18791 1.00000
Ho1 Ho 0.00000 0.96259 0.54061 1.00000
Ho2 Ho 0.00000 0.46259 0.45939 1.00000
Tl1 Tl 0.00000 0.29967 0.13340 1.00000
Tl2 Tl 0.50000 0.21455 0.63522 1.00000
Tl3 Tl 0.00000 0.79967 0.86660 1.00000
Tl4 Tl 0.50000 0.71455 0.36478 1.00000
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