Ac2PO5
Alexandria ALEXAlex-ID: agm005995338 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1365_spg14
AcPO Ac2O3 AcPO4
2023-09-03 07:06:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995338).
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 agm005995338
data_agm005995338
_cell_length_a 7.19152
_cell_length_b 7.28975
_cell_length_c 10.19967
_cell_angle_alpha 90.00000
_cell_angle_beta 105.72437
_cell_angle_gamma 90.00000
_cell_volume 514.70115
_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 0.73891 0.85104 0.99216 1.00000
Ac2 Ac 0.23891 0.64896 0.99216 1.00000
Ac3 Ac 0.60846 0.89476 0.35448 1.00000
Ac4 Ac 0.10846 0.60524 0.35448 1.00000
Ac5 Ac 0.89154 0.39476 0.64552 1.00000
Ac6 Ac 0.39154 0.10524 0.64552 1.00000
Ac7 Ac 0.76109 0.35104 0.00784 1.00000
Ac8 Ac 0.26109 0.14896 0.00784 1.00000
P1 P 0.57282 0.40467 0.32473 1.00000
P2 P 0.07282 0.09533 0.32473 1.00000
P3 P 0.92718 0.90467 0.67527 1.00000
P4 P 0.42718 0.59533 0.67527 1.00000
O1 O 0.08430 0.24270 0.21786 1.00000
O2 O 0.98735 0.62195 0.11827 1.00000
O3 O 0.58430 0.25730 0.21786 1.00000
O4 O 0.48735 0.87805 0.11827 1.00000
O5 O 0.90405 0.95596 0.26961 1.00000
O6 O 0.05534 0.19780 0.45476 1.00000
O7 O 0.40405 0.54404 0.26961 1.00000
O8 O 0.76061 0.52704 0.36634 1.00000
O9 O 0.55534 0.30220 0.45476 1.00000
O10 O 0.26061 0.97296 0.36634 1.00000
O11 O 0.73939 0.02704 0.63366 1.00000
O12 O 0.44466 0.69780 0.54524 1.00000
O13 O 0.23939 0.47296 0.63366 1.00000
O14 O 0.59595 0.45596 0.73039 1.00000
O15 O 0.94466 0.80220 0.54524 1.00000
O16 O 0.09595 0.04404 0.73039 1.00000
O17 O 0.51265 0.12195 0.88173 1.00000
O18 O 0.41570 0.74270 0.78214 1.00000
O19 O 0.01265 0.37805 0.88173 1.00000
O20 O 0.91570 0.75730 0.78214 1.00000
