Pm2Er4Se9
Alexandria ALEXAlex-ID: agm005642465 · 空间群: P-3c1 (#165)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C9_0_spg9
Pm2Se3 Er2Se3
2023-06-16 23:50:37.803610
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642465).
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 agm005642465
data_agm005642465
_cell_length_a 7.23316
_cell_length_b 7.23236
_cell_length_c 19.48099
_cell_angle_alpha 89.99905
_cell_angle_beta 90.00050
_cell_angle_gamma 59.99646
_cell_volume 882.53997
_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 0.99982 0.99997 0.35088 1.00000
Pm2 Pm 0.99981 0.00002 0.14910 1.00000
Pm3 Pm 0.00018 0.00003 0.64912 1.00000
Pm4 Pm 0.00019 0.99998 0.85090 1.00000
Er1 Er 0.33338 0.33335 0.98708 1.00000
Er2 Er 0.33327 0.33336 0.48709 1.00000
Er3 Er 0.66662 0.66665 0.01292 1.00000
Er4 Er 0.33310 0.33336 0.18164 1.00000
Er5 Er 0.66673 0.66664 0.51291 1.00000
Er6 Er 0.66646 0.66663 0.31837 1.00000
Er7 Er 0.33354 0.33337 0.68163 1.00000
Er8 Er 0.66690 0.66664 0.81836 1.00000
Se1 Se 0.00029 0.31124 0.75001 1.00000
Se2 Se 0.31151 0.68875 0.74999 1.00000
Se3 Se 0.68899 0.00003 0.75000 1.00000
Se4 Se 0.99971 0.68876 0.24999 1.00000
Se5 Se 0.68849 0.31125 0.25001 1.00000
Se6 Se 0.31101 0.99997 0.25000 1.00000
Se7 Se 0.65234 0.97422 0.41643 1.00000
Se8 Se 0.97418 0.37322 0.41646 1.00000
Se9 Se 0.37315 0.65265 0.41650 1.00000
Se10 Se 0.62654 0.02582 0.08357 1.00000
Se11 Se 0.34743 0.62672 0.08355 1.00000
Se12 Se 0.02585 0.34734 0.08350 1.00000
Se13 Se 0.34766 0.02578 0.58357 1.00000
Se14 Se 0.02582 0.62678 0.58354 1.00000
Se15 Se 0.62685 0.34735 0.58350 1.00000
Se16 Se 0.37346 0.97418 0.91643 1.00000
Se17 Se 0.65257 0.37328 0.91645 1.00000
Se18 Se 0.97415 0.65266 0.91650 1.00000
