In2P3H3O10
Alexandria ALEXAlex-ID: agm005266952 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3D10_36_spg4
PH3O4 InP In2P2O7
2024-10-19 04:22:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005266952).
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 agm005266952
data_agm005266952
_cell_length_a 6.73902
_cell_length_b 7.81435
_cell_length_c 10.24364
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.52484
_cell_volume 505.19763
_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
In1 In 0.91510 0.46846 0.98575 1.00000
In2 In 0.08490 0.53154 0.48575 1.00000
In3 In 0.68055 0.75799 0.83379 1.00000
In4 In 0.31945 0.24201 0.33379 1.00000
P1 P 0.82095 0.18757 0.70767 1.00000
P2 P 0.17905 0.81243 0.20767 1.00000
P3 P 0.60853 0.60286 0.52372 1.00000
P4 P 0.39147 0.39714 0.02372 1.00000
P5 P 0.21601 0.81121 0.76591 1.00000
P6 P 0.78399 0.18879 0.26591 1.00000
H1 H 0.20928 0.98765 0.75254 1.00000
H2 H 0.79072 0.01235 0.25254 1.00000
H3 H 0.62812 0.78173 0.48796 1.00000
H4 H 0.37188 0.21827 0.98796 1.00000
H5 H 0.63848 0.15483 0.63037 1.00000
H6 H 0.36152 0.84517 0.13037 1.00000
O1 O 0.84981 0.00301 0.73030 1.00000
O2 O 0.15019 0.99699 0.23030 1.00000
O3 O 0.40552 0.82690 0.85389 1.00000
O4 O 0.59448 0.17310 0.35389 1.00000
O5 O 0.78448 0.27892 0.83220 1.00000
O6 O 0.21552 0.72108 0.33220 1.00000
O7 O 0.22504 0.73610 0.62943 1.00000
O8 O 0.77496 0.26390 0.12943 1.00000
O9 O 0.60083 0.58433 0.67191 1.00000
O10 O 0.39917 0.41567 0.17191 1.00000
O11 O 0.00039 0.69788 0.83573 1.00000
O12 O 0.99961 0.30212 0.33573 1.00000
O13 O 0.78535 0.55482 0.45866 1.00000
O14 O 0.21465 0.44518 0.95866 1.00000
O15 O 0.01415 0.31229 0.62756 1.00000
O16 O 0.98585 0.68771 0.12756 1.00000
O17 O 0.92722 0.89976 0.97999 1.00000
O18 O 0.07278 0.10024 0.47999 1.00000
O19 O 0.60971 0.52296 0.96451 1.00000
O20 O 0.39029 0.47704 0.46451 1.00000
