Tb2PmErTe6
Alexandria ALEXAlex-ID: agm004960880 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Tb2Te3 Pm2Te3 Er2Te3
2023-01-15 17:20:24.877542
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004960880).
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
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# CIF generated by HEAS from Alexandria entry agm004960880
data_agm004960880
_cell_length_a 7.74615
_cell_length_b 7.74620
_cell_length_c 8.35684
_cell_angle_alpha 62.39013
_cell_angle_beta 62.39029
_cell_angle_gamma 60.00397
_cell_volume 366.85572
_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 0.51012 0.51015 0.46954 1.00000
Tb2 Tb 0.00851 0.00848 0.97450 1.00000
Pm1 Pm 0.82124 0.82120 0.53637 1.00000
Er1 Er 0.32337 0.32340 0.02988 1.00000
Te1 Te 0.59950 0.23279 0.24836 1.00000
Te2 Te 0.23281 0.91937 0.24838 1.00000
Te3 Te 0.91931 0.59949 0.24833 1.00000
Te4 Te 0.40833 0.72753 0.75330 1.00000
Te5 Te 0.72751 0.11091 0.75328 1.00000
Te6 Te 0.11088 0.40828 0.75326 1.00000
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