AcPm2(TlIn)2
Alexandria ALEXAlex-ID: agm004553751 · 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
AB2C2D2_141_spg166
Pm4TlIn3 Pm3In5 Ac3Tl5 PmIn
2022-06-22 04:20:42.340225
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004553751).
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 agm004553751
data_agm004553751
_cell_length_a 5.14265
_cell_length_b 5.14265
_cell_length_c 10.09562
_cell_angle_alpha 75.24436
_cell_angle_beta 75.24436
_cell_angle_gamma 60.00000
_cell_volume 221.00035
_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 0.00000 0.00000 1.00000
Pm1 Pm 0.13294 0.13294 0.60119 1.00000
Pm2 Pm 0.86706 0.86706 0.39881 1.00000
Tl1 Tl 0.57241 0.57241 0.28276 1.00000
Tl2 Tl 0.42759 0.42759 0.71724 1.00000
In1 In 0.73291 0.73291 0.80128 1.00000
In2 In 0.26709 0.26709 0.19872 1.00000
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