Sc6TlPt5
Alexandria ALEXAlex-ID: agm006136306 · 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
AB5C6_47_spg65
Sc5(Tl2Pt)2 Sc2Pt ScPt
2023-09-06 03:46:20.195182
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136306).
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 agm006136306
data_agm006136306
_cell_length_a 4.76532
_cell_length_b 6.60671
_cell_length_c 7.56586
_cell_angle_alpha 89.99982
_cell_angle_beta 109.22549
_cell_angle_gamma 90.00011
_cell_volume 224.91220
_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
Sc1 Sc 0.83038 0.74449 0.65344 1.00000
Sc2 Sc 0.83038 0.25551 0.65343 1.00000
Sc3 Sc 0.50000 0.26422 0.00000 1.00000
Sc4 Sc 0.50000 0.73578 1.00000 1.00000
Sc5 Sc 0.16962 0.74449 0.34657 1.00000
Sc6 Sc 0.16962 0.25551 0.34656 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.65109 0.50000 0.32768 1.00000
Pt2 Pt 0.33761 0.00001 0.67773 1.00000
Pt3 Pt 0.00000 0.50000 0.00000 1.00000
Pt4 Pt 0.66239 0.99999 0.32227 1.00000
Pt5 Pt 0.34891 0.50000 0.67232 1.00000
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