DyY2(HoS2)3
Alexandria ALEXAlex-ID: agm033600682 · 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_562_spg12
Y4HoS5 DyY4S5 DyHo4S5
2025-01-19 10:01:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033600682).
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 agm033600682
data_agm033600682
_cell_length_a 8.71018
_cell_length_b 8.71018
_cell_length_c 7.80146
_cell_angle_alpha 77.07901
_cell_angle_beta 102.92099
_cell_angle_gamma 154.13198
_cell_volume 251.34676
_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
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.83355 0.16645 0.16625 1.00000
Y2 Y 0.16645 0.83355 0.83375 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.16701 0.83299 0.33294 1.00000
Ho3 Ho 0.83299 0.16701 0.66706 1.00000
S1 S 0.33342 0.66658 0.91459 1.00000
S2 S 0.66648 0.33352 0.58108 1.00000
S3 S 0.66658 0.33342 0.08541 1.00000
S4 S 0.99900 0.00100 0.74797 1.00000
S5 S 0.00100 0.99900 0.25203 1.00000
S6 S 0.33352 0.66648 0.41892 1.00000
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