Tm6CuS5
Alexandria ALEXAlex-ID: agm006123763 · 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
Tm2CuS TmS
2023-09-09 08:10:40.419153
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123763).
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
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# CIF generated by HEAS from Alexandria entry agm006123763
data_agm006123763
_cell_length_a 6.70958
_cell_length_b 6.70958
_cell_length_c 6.69547
_cell_angle_alpha 99.65616
_cell_angle_beta 99.65618
_cell_angle_gamma 120.03172
_cell_volume 245.81658
_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
S1 S 0.82856 0.17144 0.50000 1.00000
S2 S 0.66530 0.33470 1.00000 1.00000
S3 S 0.50000 0.50000 0.50000 1.00000
S4 S 0.33470 0.66530 0.00000 1.00000
S5 S 0.17144 0.82856 0.50000 1.00000
Tm1 Tm 0.41140 0.08100 0.24572 1.00000
Tm2 Tm 0.91900 0.58860 0.75428 1.00000
Tm3 Tm 0.24682 0.24682 0.75150 1.00000
Tm4 Tm 0.75318 0.75318 0.24850 1.00000
Tm5 Tm 0.08100 0.41140 0.24572 1.00000
Tm6 Tm 0.58860 0.91900 0.75428 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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