NaTb4Tl3Te8
Alexandria ALEXAlex-ID: agm044398482 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_64_spg12
NaTbTe2 TbTlTe2
2025-02-27 12:00:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044398482).
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 agm044398482
data_agm044398482
_cell_length_a 9.57518
_cell_length_b 9.57518
_cell_length_c 9.57518
_cell_angle_alpha 55.50069
_cell_angle_beta 55.50069
_cell_angle_gamma 55.50069
_cell_volume 555.91443
_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
Na1 Na 0.50000 0.50000 0.50000 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Tb2 Tb 0.00000 0.50000 0.50000 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Tb4 Tb 0.50000 0.00000 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Tl2 Tl 0.00000 0.50000 0.00000 1.00000
Tl3 Tl 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.75942 0.26308 0.75942 1.00000
Te2 Te 0.75942 0.75942 0.26308 1.00000
Te3 Te 0.73870 0.73870 0.73870 1.00000
Te4 Te 0.26308 0.75942 0.75942 1.00000
Te5 Te 0.73692 0.24058 0.24058 1.00000
Te6 Te 0.26130 0.26130 0.26130 1.00000
Te7 Te 0.24058 0.24058 0.73692 1.00000
Te8 Te 0.24058 0.73692 0.24058 1.00000
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