Tm7HgPb4
Alexandria ALEXAlex-ID: agm003669293 · 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
AB4C7_87_spg12
Tm5Pb4 TmHg Tm5Pb3
2022-04-20 16:04:37.202195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669293).
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 agm003669293
data_agm003669293
_cell_length_a 5.56206
_cell_length_b 9.19925
_cell_length_c 8.05117
_cell_angle_alpha 80.27414
_cell_angle_beta 69.79262
_cell_angle_gamma 72.40359
_cell_volume 367.54738
_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 0.79458 0.86405 0.54679 1.00000
Tm2 Tm 0.20542 0.13595 0.45321 1.00000
Tm3 Tm 0.08001 0.68470 0.15528 1.00000
Tm4 Tm 0.91999 0.31530 0.84472 1.00000
Tm5 Tm 0.35173 0.57069 0.72585 1.00000
Tm6 Tm 0.50000 0.00000 0.00000 1.00000
Tm7 Tm 0.64827 0.42931 0.27415 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.57936 0.21771 0.62357 1.00000
Pb2 Pb 0.42064 0.78229 0.37643 1.00000
Pb3 Pb 0.72123 0.66133 0.89621 1.00000
Pb4 Pb 0.27877 0.33867 0.10379 1.00000
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