Pu3Tl2AsO12
Alexandria ALEXAlex-ID: agm004493469 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D12_24_spg166
PuTlO4 Pu2O5 TlAsO3
2022-06-20 15:39:33.788289
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004493469).
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 agm004493469
data_agm004493469
_cell_length_a 7.45520
_cell_length_b 7.45520
_cell_length_c 7.45520
_cell_angle_alpha 63.11098
_cell_angle_beta 63.11098
_cell_angle_gamma 63.11098
_cell_volume 313.21474
_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
Pu1 Pu 0.50000 0.00000 0.00000 1.00000
Pu2 Pu 0.00000 0.50000 0.00000 1.00000
Pu3 Pu 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.65220 0.65220 0.65220 1.00000
Tl2 Tl 0.34780 0.34780 0.34780 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
O1 O 0.32124 0.32124 0.94827 1.00000
O2 O 0.94304 0.94304 0.28782 1.00000
O3 O 0.28782 0.94304 0.94304 1.00000
O4 O 0.94827 0.32124 0.32124 1.00000
O5 O 0.94304 0.28782 0.94304 1.00000
O6 O 0.32124 0.94827 0.32124 1.00000
O7 O 0.67876 0.67876 0.05173 1.00000
O8 O 0.05696 0.05696 0.71218 1.00000
O9 O 0.71218 0.05696 0.05696 1.00000
O10 O 0.05173 0.67876 0.67876 1.00000
O11 O 0.05696 0.71218 0.05696 1.00000
O12 O 0.67876 0.05173 0.67876 1.00000
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