Er2PdPt3
Alexandria ALEXAlex-ID: agm005604153 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2344_spg15
Er2Pd5Pt Er2PdPt5 Er3Pt5
2023-08-24 10:35:01.878848
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604153).
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 agm005604153
data_agm005604153
_cell_length_a 9.45396
_cell_length_b 9.45396
_cell_length_c 9.90611
_cell_angle_alpha 134.60763
_cell_angle_beta 134.60780
_cell_angle_gamma 61.85774
_cell_volume 448.34878
_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 0.90107 0.52068 0.75386 1.00000
Er2 Er 0.39721 0.51683 0.74614 1.00000
Er3 Er 0.47931 0.09892 0.24614 1.00000
Er4 Er 0.48318 0.60278 0.25386 1.00000
Er5 Er 0.97869 0.11080 0.24577 1.00000
Er6 Er 0.98292 0.61503 0.25423 1.00000
Er7 Er 0.38497 0.01708 0.74577 1.00000
Er8 Er 0.88920 0.02131 0.75423 1.00000
Pd1 Pd 0.23002 0.34820 0.75059 1.00000
Pd2 Pd 0.65180 0.76999 0.24941 1.00000
Pd3 Pd 0.65237 0.27060 0.25059 1.00000
Pd4 Pd 0.72943 0.34761 0.74941 1.00000
Pt1 Pt 0.19651 0.80349 1.00000 1.00000
Pt2 Pt 0.15115 0.78529 0.24966 1.00000
Pt3 Pt 0.15150 0.28563 0.25034 1.00000
Pt4 Pt 0.68798 0.81274 0.00190 1.00000
Pt5 Pt 0.68231 0.31769 1.00000 1.00000
Pt6 Pt 0.93607 0.56084 0.49809 1.00000
Pt7 Pt 0.71437 0.84851 0.74966 1.00000
Pt8 Pt 0.21471 0.84885 0.75034 1.00000
Pt9 Pt 0.43916 0.06393 0.50191 1.00000
Pt10 Pt 0.44651 0.55349 0.50000 1.00000
Pt11 Pt 0.18726 0.31201 0.99810 1.00000
Pt12 Pt 0.93231 0.06769 0.50000 1.00000
