TbTm5Te6
Alexandria ALEXAlex-ID: agm003677072 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_83_spg12
TmTe TbTmTe2
2022-04-10 04:16:50.700958
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677072).
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 agm003677072
data_agm003677072
_cell_length_a 7.45614
_cell_length_b 7.48097
_cell_length_c 7.46840
_cell_angle_alpha 59.94430
_cell_angle_beta 80.44304
_cell_angle_gamma 70.64028
_cell_volume 340.17939
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.15886 0.68228 1.00000
Tm2 Tm 0.00000 0.33359 0.33283 1.00000
Tm3 Tm 0.50000 0.50000 0.00000 1.00000
Tm4 Tm 0.00000 0.66641 0.66717 1.00000
Tm5 Tm 0.50000 0.84114 0.31772 1.00000
Te1 Te 0.74532 0.08452 0.34001 1.00000
Te2 Te 0.25468 0.57547 0.34001 1.00000
Te3 Te 0.24732 0.25707 1.00000 1.00000
Te4 Te 0.75268 0.74293 0.00000 1.00000
Te5 Te 0.74532 0.42453 0.65999 1.00000
Te6 Te 0.25468 0.91548 0.65999 1.00000
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