Tm2Se3
Alexandria ALEXAlex-ID: agm003246725 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_32_spg122
Tm2Se3
2022-01-03 04:02:55.316048
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003246725).
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 agm003246725
data_agm003246725
_cell_length_a 14.27890
_cell_length_b 14.27890
_cell_length_c 14.27890
_cell_angle_alpha 144.92060
_cell_angle_beta 144.92060
_cell_angle_gamma 50.45287
_cell_volume 956.76666
_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
Tm1 Tm 0.84602 0.95005 0.37325 1.00000
Tm2 Tm 0.57680 0.47276 0.62675 1.00000
Tm3 Tm 0.16502 0.16502 0.00000 1.00000
Tm4 Tm 0.87500 0.51134 0.13634 1.00000
Tm5 Tm 0.17320 0.29995 0.39597 1.00000
Tm6 Tm 0.58498 0.08498 0.50000 1.00000
Tm7 Tm 0.37500 0.73866 0.86366 1.00000
Tm8 Tm 0.90398 0.77724 0.60403 1.00000
Tm9 Tm 0.22276 0.82680 0.12675 1.00000
Tm10 Tm 0.48866 0.62500 0.36366 1.00000
Tm11 Tm 0.91502 0.41502 0.50000 1.00000
Tm12 Tm 0.26134 0.12500 0.63634 1.00000
Tm13 Tm 0.70005 0.09602 0.87325 1.00000
Tm14 Tm 0.83498 0.83498 0.00000 1.00000
Tm15 Tm 0.52724 0.15398 0.10403 1.00000
Tm16 Tm 0.04995 0.42320 0.89597 1.00000
Se1 Se 0.50341 0.12225 0.25616 1.00000
Se2 Se 0.07541 0.82749 0.61520 1.00000
Se3 Se 0.86609 0.24725 0.74384 1.00000
Se4 Se 0.88391 0.12775 0.88116 1.00000
Se5 Se 0.24659 0.00275 0.11884 1.00000
Se6 Se 0.67459 0.78979 0.25208 1.00000
Se7 Se 0.21229 0.46021 0.38480 1.00000
Se8 Se 0.83869 0.43844 0.24214 1.00000
Se9 Se 0.53771 0.42251 0.74792 1.00000
Se10 Se 0.40344 0.16131 0.59975 1.00000
Se11 Se 0.19631 0.59656 0.75786 1.00000
Se12 Se 0.21021 0.46229 0.88480 1.00000
Se13 Se 0.57749 0.32541 0.11520 1.00000
Se14 Se 0.99725 0.11609 0.24384 1.00000
Se15 Se 0.56156 0.80369 0.40025 1.00000
Se16 Se 0.17251 0.78771 0.24792 1.00000
Se17 Se 0.87225 0.75341 0.75616 1.00000
Se18 Se 0.75275 0.49659 0.61884 1.00000
Se19 Se 0.53979 0.92459 0.75208 1.00000
Se20 Se 0.55369 0.81156 0.90025 1.00000
Se21 Se 0.91131 0.65344 0.09975 1.00000
Se22 Se 0.87775 0.13391 0.38116 1.00000
Se23 Se 0.34656 0.44631 0.25786 1.00000
Se24 Se 0.18844 0.08869 0.74214 1.00000
