Pm3Ho3Tm
Alexandria ALEXAlex-ID: agm005880098 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_698_spg148
Pm3Ho5 Pm PmTm2
2023-08-06 13:49:46.841118
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005880098).
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 agm005880098
data_agm005880098
_cell_length_a 6.19861
_cell_length_b 6.19861
_cell_length_c 14.73693
_cell_angle_alpha 77.85960
_cell_angle_beta 77.85946
_cell_angle_gamma 59.99979
_cell_volume 475.69265
_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 0.19984 0.86886 0.39316 1.00000
Pm2 Pm 0.53814 0.19984 0.39316 1.00000
Pm3 Pm 0.86886 0.53814 0.39316 1.00000
Pm4 Pm 0.13114 0.46186 0.60684 1.00000
Pm5 Pm 0.46186 0.80016 0.60684 1.00000
Pm6 Pm 0.80016 0.13114 0.60684 1.00000
Ho1 Ho 0.93573 0.26918 0.19303 1.00000
Ho2 Ho 0.60206 0.93573 0.19303 1.00000
Ho3 Ho 0.26918 0.60206 0.19303 1.00000
Ho4 Ho 0.73082 0.39794 0.80697 1.00000
Ho5 Ho 0.39794 0.06427 0.80697 1.00000
Ho6 Ho 0.06427 0.73082 0.80697 1.00000
Tm1 Tm 0.66668 0.66668 0.99994 1.00000
Tm2 Tm 0.33332 0.33332 0.00006 1.00000
获取直接链接