P
Alexandria ALEXAlex-ID: agm005235828 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A_426_spg2
P
2023-05-10 04:54:35.474026
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235828).
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 agm005235828
data_agm005235828
_cell_length_a 5.99698
_cell_length_b 11.75317
_cell_length_c 11.84767
_cell_angle_alpha 94.61624
_cell_angle_beta 99.49428
_cell_angle_gamma 100.99163
_cell_volume 803.09635
_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
P1 P 0.07441 0.99973 0.18493 1.00000
P2 P 0.92559 0.00027 0.81507 1.00000
P3 P 0.84859 0.94887 0.30978 1.00000
P4 P 0.15141 0.05113 0.69022 1.00000
P5 P 0.99928 0.13400 0.30554 1.00000
P6 P 0.00072 0.86600 0.69446 1.00000
P7 P 0.22254 0.01488 0.36946 1.00000
P8 P 0.77746 0.98512 0.63054 1.00000
P9 P 0.76284 0.37264 0.05929 1.00000
P10 P 0.23716 0.62736 0.94071 1.00000
P11 P 0.59841 0.18645 0.03464 1.00000
P12 P 0.40159 0.81355 0.96536 1.00000
P13 P 0.51238 0.30484 0.16744 1.00000
P14 P 0.48762 0.69516 0.83256 1.00000
P15 P 0.39201 0.31714 0.98420 1.00000
P16 P 0.60799 0.68286 0.01580 1.00000
P17 P 0.29391 0.68302 0.46572 1.00000
P18 P 0.70609 0.31698 0.53428 1.00000
P19 P 0.94269 0.62518 0.36343 1.00000
P20 P 0.05731 0.37482 0.63657 1.00000
P21 P 0.19989 0.51470 0.35571 1.00000
P22 P 0.80011 0.48530 0.64429 1.00000
P23 P 0.23658 0.67884 0.27654 1.00000
P24 P 0.76342 0.32116 0.72346 1.00000
