Tm2Th2Te2C
Alexandria ALEXAlex-ID: agm024521982 · 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
AB2C2D2_84_spg12
Tm2TeC Tm6Te5C Th2TeC Th
2025-06-08 22:43:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024521982).
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 agm024521982
data_agm024521982
_cell_length_a 7.64759
_cell_length_b 7.64759
_cell_length_c 6.64789
_cell_angle_alpha 71.08607
_cell_angle_beta 108.91393
_cell_angle_gamma 150.81487
_cell_volume 178.64277
_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 0.50333 0.49667 0.26653 1.00000
Tm2 Tm 0.49667 0.50333 0.73347 1.00000
Th1 Th 0.82073 0.17927 0.35493 1.00000
Th2 Th 0.17927 0.82073 0.64507 1.00000
Te1 Te 0.86392 0.13608 0.89808 1.00000
Te2 Te 0.13608 0.86392 0.10192 1.00000
C1 C 0.00000 0.00000 0.50000 1.00000
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