Pr2Dy12Ho
Alexandria ALEXAlex-ID: agm005807625 · 空间群: Cmme (#67)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_71_spg67
PrDyHo4 Dy5Ho PrDy5
2023-07-17 20:25:38.103466
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807625).
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 agm005807625
data_agm005807625
_cell_length_a 6.67367
_cell_length_b 6.67367
_cell_length_c 24.77171
_cell_angle_alpha 90.00011
_cell_angle_beta 89.99989
_cell_angle_gamma 63.98717
_cell_volume 991.51117
_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
Pr1 Pr 0.50000 1.00000 0.27026 1.00000
Pr2 Pr 0.00000 0.50000 0.26460 1.00000
Pr3 Pr 1.00000 0.50000 0.72974 1.00000
Pr4 Pr 0.50000 0.00000 0.73540 1.00000
Dy1 Dy 0.50000 0.50000 0.80209 1.00000
Dy2 Dy 1.00000 0.00000 0.80209 1.00000
Dy3 Dy 0.75063 0.74937 0.87521 1.00000
Dy4 Dy 0.25034 0.75034 0.92315 1.00000
Dy5 Dy 0.00000 1.00000 0.32741 1.00000
Dy6 Dy 0.24966 0.74966 0.07685 1.00000
Dy7 Dy 0.76421 0.26421 0.56121 1.00000
Dy8 Dy 0.50000 0.50000 0.32741 1.00000
Dy9 Dy 0.24937 0.25063 0.87521 1.00000
Dy10 Dy 0.74937 0.75063 0.12479 1.00000
Dy11 Dy 0.26192 0.23808 0.58402 1.00000
Dy12 Dy 0.73579 0.23579 0.43879 1.00000
Dy13 Dy 1.00000 0.00000 0.67259 1.00000
Dy14 Dy 0.23808 0.26192 0.41598 1.00000
Dy15 Dy 0.25063 0.24937 0.12479 1.00000
Dy16 Dy 0.76192 0.73808 0.41598 1.00000
Dy17 Dy 0.73808 0.76192 0.58402 1.00000
Dy18 Dy 0.00000 1.00000 0.19791 1.00000
Dy19 Dy 0.23579 0.73579 0.56121 1.00000
Dy20 Dy 0.50000 0.50000 0.67259 1.00000
Dy21 Dy 0.74966 0.24966 0.92315 1.00000
Dy22 Dy 0.50000 0.50000 0.19791 1.00000
Dy23 Dy 0.26421 0.76421 0.43879 1.00000
Dy24 Dy 0.75034 0.25034 0.07685 1.00000
Ho1 Ho 0.50000 0.00000 0.00001 1.00000
Ho2 Ho 0.00000 0.50000 0.99999 1.00000
