Tm4CdBi
Alexandria ALEXAlex-ID: agm003734945 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1137_spg36
Tm2Cd Tm5Bi3 Tm
2022-04-18 08:31:35.148145
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003734945).
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 agm003734945
data_agm003734945
_cell_length_a 5.58209
_cell_length_b 6.40526
_cell_length_c 10.83032
_cell_angle_alpha 90.00000
_cell_angle_beta 104.93403
_cell_angle_gamma 90.00000
_cell_volume 374.15605
_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 0.86625 0.32189 0.73251 1.00000
Tm2 Tm 0.13375 0.82189 0.26749 1.00000
Tm3 Tm 0.43748 0.82260 0.87496 1.00000
Tm4 Tm 0.56252 0.32260 0.12504 1.00000
Tm5 Tm 0.70726 0.56982 0.41452 1.00000
Tm6 Tm 0.29274 0.06982 0.58548 1.00000
Tm7 Tm 0.70722 0.07450 0.41445 1.00000
Tm8 Tm 0.29278 0.57450 0.58555 1.00000
Cd1 Cd 0.57849 0.82260 0.15697 1.00000
Cd2 Cd 0.42151 0.32260 0.84303 1.00000
Bi1 Bi 0.84978 0.82199 0.69955 1.00000
Bi2 Bi 0.15022 0.32199 0.30045 1.00000
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