Ti7P4
Alexandria ALEXAlex-ID: agm003229151 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7_20_spg12
Ti7P4
2021-12-10 10:04:12.391287
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003229151).
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 agm003229151
data_agm003229151
_cell_length_a 7.52608
_cell_length_b 7.52608
_cell_length_c 13.63048
_cell_angle_alpha 75.71211
_cell_angle_beta 75.71211
_cell_angle_gamma 26.00365
_cell_volume 327.45314
_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 0.00000 0.00000 0.00000 1.00000
Ti2 Ti 0.50000 0.50000 0.50000 1.00000
Ti3 Ti 0.42985 0.42985 0.16994 1.00000
Ti4 Ti 0.57015 0.57015 0.83006 1.00000
Ti5 Ti 0.19640 0.19640 0.69237 1.00000
Ti6 Ti 0.80360 0.80360 0.30763 1.00000
Ti7 Ti 0.20550 0.20550 0.20641 1.00000
Ti8 Ti 0.79450 0.79450 0.79359 1.00000
Ti9 Ti 0.33948 0.33948 0.96853 1.00000
Ti10 Ti 0.66052 0.66052 0.03147 1.00000
Ti11 Ti 0.00345 0.00345 0.33695 1.00000
Ti12 Ti 0.99655 0.99655 0.66305 1.00000
Ti13 Ti 0.17829 0.17829 0.45885 1.00000
Ti14 Ti 0.82171 0.82171 0.54115 1.00000
P1 P 0.17779 0.17779 0.89010 1.00000
P2 P 0.82221 0.82221 0.10990 1.00000
P3 P 0.37254 0.37254 0.39622 1.00000
P4 P 0.62746 0.62746 0.60378 1.00000
P5 P 0.36976 0.36976 0.65787 1.00000
P6 P 0.63024 0.63024 0.34213 1.00000
P7 P 0.06179 0.06179 0.15037 1.00000
P8 P 0.93821 0.93821 0.84963 1.00000
