Tb2Tm(ThTe2)3
Alexandria ALEXAlex-ID: agm004617331 · 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
AB2C3D6_196_spg12
Tm5Te6 TbTe Th ThTe
2022-06-30 13:42:50.269960
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004617331).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004617331
data_agm004617331
_cell_length_a 4.23753
_cell_length_b 9.19407
_cell_length_c 10.18795
_cell_angle_alpha 110.56583
_cell_angle_beta 102.00328
_cell_angle_gamma 90.00000
_cell_volume 362.34356
_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 0.83251 0.66606 0.66502 1.00000
Tb2 Tb 0.16749 0.33394 0.33498 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.83209 0.16633 0.66419 1.00000
Th3 Th 0.16791 0.83367 0.33581 1.00000
Te1 Te 0.33833 0.91156 0.67665 1.00000
Te2 Te 0.66917 0.57573 0.33833 1.00000
Te3 Te 0.66167 0.08844 0.32335 1.00000
Te4 Te 0.00230 0.23870 0.00461 1.00000
Te5 Te 0.99770 0.76130 0.99539 1.00000
Te6 Te 0.33083 0.42427 0.66167 1.00000
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