Dy2HoPb3
Alexandria ALEXAlex-ID: agm005664070 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1034_spg15
DyHoPb2 DyPb
2023-08-29 15:05:57.696889
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664070).
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 agm005664070
data_agm005664070
_cell_length_a 6.39617
_cell_length_b 6.39426
_cell_length_c 9.03845
_cell_angle_alpha 110.71507
_cell_angle_beta 100.15317
_cell_angle_gamma 89.99931
_cell_volume 339.56761
_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 0.58397 0.54151 0.33340 1.00000
Dy2 Dy 0.08396 0.79189 0.33340 1.00000
Dy3 Dy 0.91604 0.20811 0.66660 1.00000
Dy4 Dy 0.41603 0.45849 0.66660 1.00000
Ho1 Ho 0.75000 0.12458 1.00000 1.00000
Ho2 Ho 0.25000 0.87542 0.00000 1.00000
Pb1 Pb 0.25000 0.37579 0.00000 1.00000
Pb2 Pb 0.75000 0.62421 1.00000 1.00000
Pb3 Pb 0.08298 0.29092 0.33268 1.00000
Pb4 Pb 0.41702 0.95825 0.66732 1.00000
Pb5 Pb 0.58298 0.04175 0.33268 1.00000
Pb6 Pb 0.91702 0.70908 0.66732 1.00000
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