Ti11Co9Pd4
Alexandria ALEXAlex-ID: agm034433249 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9C11_2_spg15
TiCo TiPd2
2024-10-26 09:04:56.449673
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034433249).
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 agm034433249
data_agm034433249
_cell_length_a 7.38876
_cell_length_b 7.38876
_cell_length_c 14.14244
_cell_angle_alpha 85.17841
_cell_angle_beta 85.17841
_cell_angle_gamma 119.82172
_cell_volume 660.36476
_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
Ti1 Ti 0.50000 0.00000 0.00000 1.00000
Ti2 Ti 0.00000 0.50000 0.50000 1.00000
Ti3 Ti 0.25194 0.74806 0.75000 1.00000
Ti4 Ti 0.74806 0.25194 0.25000 1.00000
Ti5 Ti 0.58557 0.41443 0.75000 1.00000
Ti6 Ti 0.41443 0.58557 0.25000 1.00000
Ti7 Ti 0.31897 0.15914 0.50057 1.00000
Ti8 Ti 0.84086 0.68103 0.99943 1.00000
Ti9 Ti 0.68103 0.84086 0.49943 1.00000
Ti10 Ti 0.15914 0.31897 0.00057 1.00000
Ti11 Ti 0.23497 0.39762 0.64982 1.00000
Ti12 Ti 0.60238 0.76503 0.85018 1.00000
Ti13 Ti 0.76503 0.60238 0.35018 1.00000
Ti14 Ti 0.39762 0.23497 0.14982 1.00000
Ti15 Ti 0.66842 0.11352 0.65008 1.00000
Ti16 Ti 0.88648 0.33158 0.84992 1.00000
Ti17 Ti 0.33158 0.88648 0.34992 1.00000
Ti18 Ti 0.11352 0.66842 0.15008 1.00000
Ti19 Ti 0.95244 0.83043 0.64502 1.00000
Ti20 Ti 0.16957 0.04756 0.85498 1.00000
Ti21 Ti 0.04756 0.16957 0.35498 1.00000
Ti22 Ti 0.83043 0.95244 0.14502 1.00000
Co1 Co 0.92061 0.07939 0.75000 1.00000
Co2 Co 0.07939 0.92061 0.25000 1.00000
Co3 Co 0.94301 0.47757 0.67766 1.00000
Co4 Co 0.52243 0.05699 0.82234 1.00000
Co5 Co 0.05699 0.52243 0.32234 1.00000
Co6 Co 0.47757 0.94301 0.17766 1.00000
Co7 Co 0.31645 0.10394 0.67868 1.00000
Co8 Co 0.89606 0.68355 0.82132 1.00000
Co9 Co 0.68355 0.89606 0.32132 1.00000
Co10 Co 0.10394 0.31645 0.17868 1.00000
Co11 Co 0.56765 0.72888 0.67743 1.00000
Co12 Co 0.27112 0.43235 0.82257 1.00000
Co13 Co 0.43235 0.27112 0.32257 1.00000
Co14 Co 0.72888 0.56765 0.17743 1.00000
Co15 Co 0.15559 0.98588 0.04363 1.00000
Co16 Co 0.01412 0.84441 0.45637 1.00000
Co17 Co 0.84441 0.01412 0.95637 1.00000
Co18 Co 0.98588 0.15559 0.54363 1.00000
Pd1 Pd 0.81192 0.31675 0.06121 1.00000
Pd2 Pd 0.68325 0.18808 0.43879 1.00000
Pd3 Pd 0.18808 0.68325 0.93879 1.00000
Pd4 Pd 0.31675 0.81192 0.56121 1.00000
Pd5 Pd 0.52454 0.35654 0.93879 1.00000
Pd6 Pd 0.64346 0.47546 0.56121 1.00000
Pd7 Pd 0.47546 0.64346 0.06121 1.00000
Pd8 Pd 0.35654 0.52454 0.43879 1.00000
