Pm5YTl6
Alexandria ALEXAlex-ID: agm015265271 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_53_spg71
Pm3YTl4 PmTl
2024-11-13 23:48:08.243978
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015265271).
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 agm015265271
data_agm015265271
_cell_length_a 9.47992
_cell_length_b 9.47992
_cell_length_c 9.47992
_cell_angle_alpha 146.47385
_cell_angle_beta 131.99240
_cell_angle_gamma 59.82347
_cell_volume 346.56593
_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 0.66946 0.66946 0.00000 1.00000
Pm2 Pm 0.83451 0.33451 0.50000 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Pm4 Pm 0.16549 0.66549 0.50000 1.00000
Pm5 Pm 0.33054 0.33054 0.00000 1.00000
Y1 Y 0.50000 0.00000 0.50000 1.00000
Tl1 Tl 0.08920 0.83541 0.25379 1.00000
Tl2 Tl 0.58162 0.83541 0.74621 1.00000
Tl3 Tl 0.25709 0.50000 0.75709 1.00000
Tl4 Tl 0.74291 0.50000 0.24291 1.00000
Tl5 Tl 0.41838 0.16459 0.25379 1.00000
Tl6 Tl 0.91080 0.16459 0.74621 1.00000
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