Dy5HoS6
Alexandria ALEXAlex-ID: agm031826421 · 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
AB5C6_53_spg71
Dy4HoS5 DyS
2024-12-12 07:23:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031826421).
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 agm031826421
data_agm031826421
_cell_length_a 8.71605
_cell_length_b 8.71605
_cell_length_c 7.80546
_cell_angle_alpha 77.06670
_cell_angle_beta 102.93330
_cell_angle_gamma 154.12878
_cell_volume 251.83032
_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 0.16690 0.83310 0.33366 1.00000
Dy2 Dy 0.83310 0.16690 0.66634 1.00000
Dy3 Dy 0.50000 0.50000 0.50000 1.00000
Dy4 Dy 0.16704 0.83296 0.83322 1.00000
Dy5 Dy 0.83296 0.16704 0.16678 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
S1 S 0.66599 0.33401 0.08294 1.00000
S2 S 0.33343 0.66657 0.41673 1.00000
S3 S 0.33401 0.66599 0.91706 1.00000
S4 S 0.00006 0.99994 0.75143 1.00000
S5 S 0.99994 0.00006 0.24857 1.00000
S6 S 0.66657 0.33343 0.58327 1.00000
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