Ac4Tl5Pt2
Alexandria ALEXAlex-ID: agm005657439 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_662_spg10
AcTl3 Ac3Tl5 AcPt
2023-06-22 11:19:59.216391
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657439).
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 agm005657439
data_agm005657439
_cell_length_a 4.06193
_cell_length_b 8.31290
_cell_length_c 10.29183
_cell_angle_alpha 94.61170
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 346.39302
_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
Ac1 Ac 0.50000 0.22100 0.43502 1.00000
Ac2 Ac 0.50000 0.81547 0.15328 1.00000
Ac3 Ac 0.50000 0.77900 0.56498 1.00000
Ac4 Ac 0.50000 0.18453 0.84672 1.00000
Tl1 Tl 0.00000 0.45827 0.67437 1.00000
Tl2 Tl 0.00000 0.83192 0.85830 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Tl4 Tl 0.00000 0.16808 0.14170 1.00000
Tl5 Tl 0.00000 0.54173 0.32563 1.00000
Pt1 Pt 0.00000 0.92564 0.36483 1.00000
Pt2 Pt 0.00000 0.07436 0.63517 1.00000
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