Pm3(DySc2)2
Alexandria ALEXAlex-ID: agm005651263 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_1196_spg2
Pm3Dy5 Pm Sc
2023-06-30 23:00:36.986259
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651263).
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 agm005651263
data_agm005651263
_cell_length_a 6.59755
_cell_length_b 10.69590
_cell_length_c 9.36583
_cell_angle_alpha 72.50181
_cell_angle_beta 60.35534
_cell_angle_gamma 68.27367
_cell_volume 527.91472
_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
Pm1 Pm 0.83359 0.96911 0.81439 1.00000
Pm2 Pm 0.49283 0.29603 0.82966 1.00000
Pm3 Pm 0.16641 0.03089 0.18561 1.00000
Pm4 Pm 0.50717 0.70397 0.17034 1.00000
Pm5 Pm 0.26458 0.44961 0.52116 1.00000
Pm6 Pm 0.73542 0.55039 0.47884 1.00000
Dy1 Dy 0.38013 0.87571 0.83259 1.00000
Dy2 Dy 0.85218 0.36784 0.16564 1.00000
Dy3 Dy 0.61987 0.12429 0.16741 1.00000
Dy4 Dy 0.14782 0.63216 0.83436 1.00000
Sc1 Sc 0.59639 0.11644 0.52214 1.00000
Sc2 Sc 0.04465 0.21011 0.83290 1.00000
Sc3 Sc 0.40361 0.88356 0.47786 1.00000
Sc4 Sc 0.95535 0.78989 0.16710 1.00000
Sc5 Sc 0.92724 0.78881 0.52245 1.00000
Sc6 Sc 0.29141 0.45915 0.16139 1.00000
Sc7 Sc 0.07276 0.21119 0.47755 1.00000
Sc8 Sc 0.70859 0.54085 0.83861 1.00000
获取直接链接