Tb2Y(HoS2)3
Alexandria ALEXAlex-ID: agm034309369 · 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
AB2C3D6_201_spg12
Tb2Y3S5 TbHo4S5 Tb4HoS5
2025-01-25 07:36:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034309369).
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 agm034309369
data_agm034309369
_cell_length_a 8.72171
_cell_length_b 8.72171
_cell_length_c 7.81394
_cell_angle_alpha 77.07726
_cell_angle_beta 102.92274
_cell_angle_gamma 154.13861
_cell_volume 252.35361
_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 0.83354 0.16646 0.16599 1.00000
Tb2 Tb 0.16646 0.83354 0.83401 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.16722 0.83278 0.33286 1.00000
Ho3 Ho 0.83278 0.16722 0.66714 1.00000
S1 S 0.33344 0.66656 0.91386 1.00000
S2 S 0.66636 0.33364 0.58038 1.00000
S3 S 0.66656 0.33344 0.08614 1.00000
S4 S 0.99863 0.00137 0.74701 1.00000
S5 S 0.00137 0.99863 0.25299 1.00000
S6 S 0.33364 0.66636 0.41962 1.00000
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