TmTh3Tl2
Alexandria ALEXAlex-ID: agm034338374 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1797_spg2
Tm3(ThTl2)2 ThTl Th
2025-04-14 14:22:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034338374).
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 agm034338374
data_agm034338374
_cell_length_a 7.02226
_cell_length_b 4.95173
_cell_length_c 10.36381
_cell_angle_alpha 90.00000
_cell_angle_beta 92.08851
_cell_angle_gamma 90.00000
_cell_volume 360.13399
_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 0.08377 0.25000 0.71874 1.00000
Tm2 Tm 0.91623 0.75000 0.28126 1.00000
Th1 Th 0.85041 0.75000 0.93176 1.00000
Th2 Th 0.14959 0.25000 0.06824 1.00000
Th3 Th 0.40894 0.75000 0.22520 1.00000
Th4 Th 0.59106 0.25000 0.77480 1.00000
Th5 Th 0.65326 0.25000 0.43399 1.00000
Th6 Th 0.34674 0.75000 0.56601 1.00000
Tl1 Tl 0.67298 0.25000 0.11163 1.00000
Tl2 Tl 0.32702 0.75000 0.88837 1.00000
Tl3 Tl 0.83907 0.75000 0.61091 1.00000
Tl4 Tl 0.16093 0.25000 0.38909 1.00000
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