ScTlPb
Alexandria ALEXAlex-ID: agm002017570 · 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
ABC_2572_spg12
Tl ScPb
2021-11-13 05:14:34.655330
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002017570).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm002017570
data_agm002017570
_cell_length_a 4.32633
_cell_length_b 5.91126
_cell_length_c 6.70402
_cell_angle_alpha 102.72052
_cell_angle_beta 90.04416
_cell_angle_gamma 111.42238
_cell_volume 155.06317
_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
Sc1 Sc 0.85748 0.71519 0.18012 1.00000
Sc2 Sc 0.14252 0.28481 0.81988 1.00000
Tl1 Tl 0.81613 0.63144 0.68382 1.00000
Tl2 Tl 0.18387 0.36856 0.31618 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
Pb2 Pb 0.50000 0.00000 0.50000 1.00000
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