ErPu2MgPt4
Alexandria ALEXAlex-ID: agm044393669 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_37_spg42
PuPt ErPt MgPt
2024-09-14 01:56:44.706222
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044393669).
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 agm044393669
data_agm044393669
_cell_length_a 6.87246
_cell_length_b 5.65275
_cell_length_c 6.63618
_cell_angle_alpha 67.45793
_cell_angle_beta 49.43605
_cell_angle_gamma 63.10602
_cell_volume 173.14650
_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
Er1 Er 0.92577 0.92577 0.07423 1.00000
Pu1 Pu 0.14589 0.14589 0.35411 1.00000
Pu2 Pu 0.64589 0.64589 0.85411 1.00000
Mg1 Mg 0.53471 0.53471 0.46529 1.00000
Pt1 Pt 0.04253 0.41523 0.95747 1.00000
Pt2 Pt 0.41523 0.04253 0.58477 1.00000
Pt3 Pt 0.16933 0.61797 0.38203 1.00000
Pt4 Pt 0.61797 0.16933 0.83067 1.00000
获取直接链接