Tb2Pm3NdTm6
Alexandria ALEXAlex-ID: agm020180906 · 空间群: P-31m (#162)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_48_spg12
PmTm2 TbPmNd Tb5Pm3 TbTm5
2025-03-12 01:44:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020180906).
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 agm020180906
data_agm020180906
_cell_length_a 6.17987
_cell_length_b 6.17987
_cell_length_c 11.46798
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 379.29437
_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
Tb1 Tb 0.33333 0.66667 0.00000 1.00000
Tb2 Tb 0.66667 0.33333 0.00000 1.00000
Pm1 Pm 0.66667 0.33333 0.50000 1.00000
Pm2 Pm 0.33333 0.66667 0.50000 1.00000
Pm3 Pm 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.33346 0.00000 0.24898 1.00000
Tm2 Tm 0.33346 0.33346 0.75102 1.00000
Tm3 Tm 0.66654 0.00000 0.75102 1.00000
Tm4 Tm 0.00000 0.33346 0.24898 1.00000
Tm5 Tm 0.66654 0.66654 0.24898 1.00000
Tm6 Tm 0.00000 0.66654 0.75102 1.00000
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