Dy2ScGe3
Alexandria ALEXAlex-ID: agm019953045 · 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_4717_spg14
Dy2Sc3Ge4 Dy3Ge4 DyGe
2024-11-13 15:37:54.820037
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019953045).
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 agm019953045
data_agm019953045
_cell_length_a 11.76955
_cell_length_b 5.67955
_cell_length_c 8.38795
_cell_angle_alpha 68.18748
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 520.55579
_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 0.74771 0.77998 0.92966 1.00000
Dy2 Dy 0.75229 0.77998 0.42966 1.00000
Dy3 Dy 0.41712 0.77754 0.92914 1.00000
Dy4 Dy 0.08288 0.77754 0.42914 1.00000
Dy5 Dy 0.91712 0.22246 0.57086 1.00000
Dy6 Dy 0.58288 0.22246 0.07086 1.00000
Dy7 Dy 0.24771 0.22002 0.57034 1.00000
Dy8 Dy 0.25229 0.22002 0.07034 1.00000
Sc1 Sc 0.08472 0.76515 0.93521 1.00000
Sc2 Sc 0.41528 0.76515 0.43521 1.00000
Sc3 Sc 0.58472 0.23485 0.56479 1.00000
Sc4 Sc 0.91528 0.23485 0.06479 1.00000
Ge1 Ge 0.57998 0.66646 0.21466 1.00000
Ge2 Ge 0.92002 0.66646 0.71466 1.00000
Ge3 Ge 0.91887 0.68853 0.19679 1.00000
Ge4 Ge 0.58113 0.68853 0.69679 1.00000
Ge5 Ge 0.25142 0.66663 0.20864 1.00000
Ge6 Ge 0.24858 0.66663 0.70864 1.00000
Ge7 Ge 0.75142 0.33337 0.29136 1.00000
Ge8 Ge 0.74858 0.33337 0.79136 1.00000
Ge9 Ge 0.41887 0.31147 0.30321 1.00000
Ge10 Ge 0.08113 0.31147 0.80321 1.00000
Ge11 Ge 0.07998 0.33354 0.28534 1.00000
Ge12 Ge 0.42002 0.33354 0.78534 1.00000
