Dy3AsP2
Alexandria ALEXAlex-ID: agm020844599 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_359_spg14
DyAs DyP
2025-04-15 07:48:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020844599).
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 agm020844599
data_agm020844599
_cell_length_a 5.71911
_cell_length_b 8.07808
_cell_length_c 12.14528
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 561.10531
_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 0.75000 0.63005 0.58528 1.00000
Dy2 Dy 0.75000 0.13005 0.91472 1.00000
Dy3 Dy 0.75000 0.62030 0.91410 1.00000
Dy4 Dy 0.75000 0.12030 0.58590 1.00000
Dy5 Dy 0.75000 0.62512 0.25068 1.00000
Dy6 Dy 0.75000 0.12512 0.24932 1.00000
Dy7 Dy 0.25000 0.87488 0.75068 1.00000
Dy8 Dy 0.25000 0.37488 0.74932 1.00000
Dy9 Dy 0.25000 0.87970 0.41410 1.00000
Dy10 Dy 0.25000 0.37970 0.08590 1.00000
Dy11 Dy 0.25000 0.86995 0.08528 1.00000
Dy12 Dy 0.25000 0.36995 0.41472 1.00000
As1 As 0.75000 0.87445 0.08189 1.00000
As2 As 0.75000 0.37445 0.41811 1.00000
As3 As 0.25000 0.62555 0.58189 1.00000
As4 As 0.25000 0.12555 0.91811 1.00000
P1 P 0.75000 0.87515 0.75141 1.00000
P2 P 0.75000 0.37515 0.74859 1.00000
P3 P 0.75000 0.87584 0.41639 1.00000
P4 P 0.75000 0.37584 0.08361 1.00000
P5 P 0.25000 0.62416 0.91639 1.00000
P6 P 0.25000 0.12416 0.58361 1.00000
P7 P 0.25000 0.62485 0.25141 1.00000
P8 P 0.25000 0.12485 0.24859 1.00000
