Pm4Er9Tm11
Alexandria ALEXAlex-ID: agm005752297 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9C11_8_spg65
ErTm5 PmEr2 PmTm2
2023-07-11 05:11:28.322910
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752297).
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 agm005752297
data_agm005752297
_cell_length_a 3.64713
_cell_length_b 14.89470
_cell_length_c 14.89470
_cell_angle_alpha 112.70463
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 746.42091
_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 0.50000 0.55385 0.75451 1.00000
Pm2 Pm 0.50000 0.44615 0.24549 1.00000
Pm3 Pm 0.50000 0.75451 0.55385 1.00000
Pm4 Pm 0.50000 0.24549 0.44615 1.00000
Er1 Er 0.50000 0.63394 0.16231 1.00000
Er2 Er 0.50000 0.36606 0.83769 1.00000
Er3 Er 0.50000 0.16231 0.63394 1.00000
Er4 Er 0.50000 0.83769 0.36606 1.00000
Er5 Er 0.50000 0.78791 0.93371 1.00000
Er6 Er 0.50000 0.21209 0.06629 1.00000
Er7 Er 0.50000 0.93371 0.78791 1.00000
Er8 Er 0.50000 0.06629 0.21209 1.00000
Er9 Er 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.00000 0.59275 0.95563 1.00000
Tm2 Tm 0.00000 0.40725 0.04437 1.00000
Tm3 Tm 0.00000 0.95563 0.59275 1.00000
Tm4 Tm 0.00000 0.04437 0.40725 1.00000
Tm5 Tm 0.00000 0.63584 0.36416 1.00000
Tm6 Tm 0.00000 0.36416 0.63584 1.00000
Tm7 Tm 0.00000 0.84079 0.15921 1.00000
Tm8 Tm 0.00000 0.15921 0.84079 1.00000
Tm9 Tm 0.00000 0.00000 0.00000 1.00000
Tm10 Tm 0.00000 0.71345 0.71345 1.00000
Tm11 Tm 0.00000 0.28655 0.28655 1.00000
