Dy3Ir2Pd
Alexandria ALEXAlex-ID: agm020656066 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2128_spg14
Dy3Ir2Pd
2025-02-21 22:36:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020656066).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm020656066
data_agm020656066
_cell_length_a 5.98231
_cell_length_b 9.72983
_cell_length_c 8.47339
_cell_angle_alpha 90.00000
_cell_angle_beta 89.53921
_cell_angle_gamma 90.00000
_cell_volume 493.19332
_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 0.16316 0.87130 0.41455 1.00000
Dy2 Dy 0.83684 0.37130 0.08545 1.00000
Dy3 Dy 0.83634 0.87799 0.08149 1.00000
Dy4 Dy 0.16366 0.37799 0.41851 1.00000
Dy5 Dy 0.50015 0.87453 0.75387 1.00000
Dy6 Dy 0.49985 0.37453 0.74613 1.00000
Dy7 Dy 0.50015 0.62547 0.25387 1.00000
Dy8 Dy 0.49985 0.12547 0.24613 1.00000
Dy9 Dy 0.83634 0.62201 0.58149 1.00000
Dy10 Dy 0.16366 0.12201 0.91851 1.00000
Dy11 Dy 0.16316 0.62870 0.91455 1.00000
Dy12 Dy 0.83684 0.12870 0.58545 1.00000
Ir1 Ir 0.99935 0.62512 0.24714 1.00000
Ir2 Ir 0.00065 0.12512 0.25286 1.00000
Ir3 Ir 0.33752 0.62593 0.58435 1.00000
Ir4 Ir 0.66248 0.12593 0.91565 1.00000
Ir5 Ir 0.33752 0.87407 0.08435 1.00000
Ir6 Ir 0.66248 0.37407 0.41565 1.00000
Ir7 Ir 0.99935 0.87488 0.74714 1.00000
Ir8 Ir 0.00065 0.37488 0.75286 1.00000
Pd1 Pd 0.66319 0.62362 0.91886 1.00000
Pd2 Pd 0.33681 0.12362 0.58114 1.00000
Pd3 Pd 0.66319 0.87638 0.41886 1.00000
Pd4 Pd 0.33681 0.37638 0.08114 1.00000
