Te(PbO2)2
Alexandria ALEXAlex-ID: agm005997706 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_3157_spg11
TePbO3 PbO
2023-10-14 10:28:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997706).
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 agm005997706
data_agm005997706
_cell_length_a 5.44650
_cell_length_b 7.53421
_cell_length_c 8.67244
_cell_angle_alpha 101.58231
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00002
_cell_volume 348.62734
_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
Te1 Te 0.25000 0.64679 0.81140 1.00000
Te2 Te 0.75000 0.35321 0.18860 1.00000
Pb1 Pb 0.25000 0.10800 0.89579 1.00000
Pb2 Pb 0.75000 0.89200 0.10421 1.00000
Pb3 Pb 0.75000 0.68576 0.52818 1.00000
Pb4 Pb 0.25000 0.31424 0.47182 1.00000
O1 O 0.49855 0.52485 0.66898 1.00000
O2 O 0.25000 0.89310 0.03011 1.00000
O3 O 0.75000 0.10690 0.96989 1.00000
O4 O 0.00145 0.52485 0.66898 1.00000
O5 O 0.75000 0.15004 0.29206 1.00000
O6 O 0.99855 0.47515 0.33102 1.00000
O7 O 0.50145 0.47515 0.33102 1.00000
O8 O 0.25000 0.84996 0.70794 1.00000
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