Ac4TlPtCl2
Alexandria ALEXAlex-ID: agm004854635 · 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
ABC2D4_343_spg10
Ac7Pt3 Ac5Tl2Pt Ac3Pt2 AcCl3
2022-07-13 13:12:30.889884
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004854635).
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 agm004854635
data_agm004854635
_cell_length_a 4.47205
_cell_length_b 7.74216
_cell_length_c 8.32888
_cell_angle_alpha 70.47665
_cell_angle_beta 89.99971
_cell_angle_gamma 89.99969
_cell_volume 271.79363
_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 0.00000 0.74892 0.72504 1.00000
Ac2 Ac 1.00000 0.25108 0.27496 1.00000
Ac3 Ac 0.50000 0.72401 0.27369 1.00000
Ac4 Ac 0.50000 0.27599 0.72630 1.00000
Tl1 Tl 0.50000 0.50000 1.00000 1.00000
Pt1 Pt 0.00000 0.49999 0.50000 1.00000
Cl1 Cl 0.00000 0.00000 1.00000 1.00000
Cl2 Cl 0.50000 0.00000 0.50000 1.00000
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