Pm9Tl3O2
Alexandria ALEXAlex-ID: agm005609192 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_5_spg164
Pm2Tl Pm3TlO Pm
2023-06-14 08:49:06.778875
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609192).
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 agm005609192
data_agm005609192
_cell_length_a 7.04211
_cell_length_b 7.04211
_cell_length_c 8.63723
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99999
_cell_angle_gamma 120.00000
_cell_volume 370.94589
_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
Pm1 Pm 0.16892 0.83108 0.66916 1.00000
Pm2 Pm 0.16892 0.33784 0.66916 1.00000
Pm3 Pm 0.50000 0.50000 0.00000 1.00000
Pm4 Pm 0.83108 0.66216 0.33084 1.00000
Pm5 Pm 0.33784 0.16892 0.33084 1.00000
Pm6 Pm 0.66216 0.83108 0.66916 1.00000
Pm7 Pm 0.83108 0.16892 0.33084 1.00000
Pm8 Pm 0.00000 0.50000 0.00000 1.00000
Pm9 Pm 0.50000 0.00000 0.00000 1.00000
Tl1 Tl 0.66667 0.33333 0.66719 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Tl3 Tl 0.33333 0.66667 0.33281 1.00000
O1 O 0.66667 0.33333 0.15885 1.00000
O2 O 0.33333 0.66667 0.84115 1.00000
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