Ac6GePt3
Alexandria ALEXAlex-ID: agm005983293 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_337_spg11
Ac7Pt3 Ac3Pt2 Ac4Ge3
2023-09-15 12:38:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005983293).
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 agm005983293
data_agm005983293
_cell_length_a 4.47972
_cell_length_b 13.08775
_cell_length_c 12.84387
_cell_angle_alpha 111.68352
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 699.74433
_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 0.75000 0.44566 0.60446 1.00000
Ac2 Ac 0.25000 0.55434 0.39554 1.00000
Ac3 Ac 0.75000 0.92508 0.09240 1.00000
Ac4 Ac 0.25000 0.07492 0.90760 1.00000
Ac5 Ac 0.75000 0.39238 0.06083 1.00000
Ac6 Ac 0.25000 0.60762 0.93917 1.00000
Ac7 Ac 0.75000 0.73327 0.25545 1.00000
Ac8 Ac 0.25000 0.26673 0.74455 1.00000
Ac9 Ac 0.75000 0.10777 0.45606 1.00000
Ac10 Ac 0.25000 0.89223 0.54394 1.00000
Ac11 Ac 0.75000 0.78639 0.74734 1.00000
Ac12 Ac 0.25000 0.21361 0.25266 1.00000
Ge1 Ge 0.75000 0.05838 0.70103 1.00000
Ge2 Ge 0.25000 0.94162 0.29897 1.00000
Pt1 Pt 0.75000 0.44034 0.83879 1.00000
Pt2 Pt 0.25000 0.55966 0.16121 1.00000
Pt3 Pt 0.75000 0.71252 0.48591 1.00000
Pt4 Pt 0.25000 0.28748 0.51409 1.00000
Pt5 Pt 0.75000 0.15828 0.08579 1.00000
Pt6 Pt 0.25000 0.84172 0.91421 1.00000
