Mg(PO5)2
Alexandria ALEXAlex-ID: agm005272999 · 空间群: I4_1/acd (#142)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C10_255_spg142
MgO8 MgP4O11 O2
2024-10-14 14:56:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005272999).
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 agm005272999
data_agm005272999
_cell_length_a 10.86115
_cell_length_b 10.86115
_cell_length_c 10.86115
_cell_angle_alpha 131.35866
_cell_angle_beta 131.35866
_cell_angle_gamma 71.24386
_cell_volume 706.60368
_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
Mg1 Mg 0.25000 0.75000 0.50000 1.00000
Mg2 Mg 0.75000 0.25000 0.50000 1.00000
Mg3 Mg 0.50000 0.50000 0.00000 1.00000
Mg4 Mg 0.00000 0.00000 0.00000 1.00000
P1 P 0.12500 0.69898 0.07398 1.00000
P2 P 0.62500 0.55102 0.42602 1.00000
P3 P 0.12500 0.19898 0.57398 1.00000
P4 P 0.62500 0.05102 0.92602 1.00000
P5 P 0.30102 0.37500 0.42602 1.00000
P6 P 0.44898 0.87500 0.07398 1.00000
P7 P 0.80102 0.37500 0.92602 1.00000
P8 P 0.94898 0.87500 0.57398 1.00000
O1 O 0.46562 0.96562 0.50000 1.00000
O2 O 0.96562 0.46562 0.50000 1.00000
O3 O 0.28438 0.28438 0.00000 1.00000
O4 O 0.78438 0.78438 0.00000 1.00000
O5 O 0.03438 0.53438 0.50000 1.00000
O6 O 0.53438 0.03438 0.50000 1.00000
O7 O 0.71562 0.71562 1.00000 1.00000
O8 O 0.21562 0.21562 1.00000 1.00000
O9 O 0.15038 0.73526 0.25251 1.00000
O10 O 0.65038 0.39788 0.41512 1.00000
O11 O 0.26725 0.35212 0.75251 1.00000
O12 O 0.76725 0.01474 0.91512 1.00000
O13 O 0.48275 0.89788 0.74749 1.00000
O14 O 0.98275 0.23526 0.58488 1.00000
O15 O 0.59962 0.51474 0.24749 1.00000
O16 O 0.09962 0.85212 0.08488 1.00000
O17 O 0.26474 0.51725 0.41512 1.00000
O18 O 0.60212 0.01725 0.25251 1.00000
O19 O 0.64788 0.40038 0.91512 1.00000
O20 O 0.98526 0.90038 0.75251 1.00000
O21 O 0.10212 0.84962 0.58488 1.00000
O22 O 0.76474 0.34962 0.74749 1.00000
O23 O 0.48526 0.73275 0.08488 1.00000
O24 O 0.14788 0.23275 0.24749 1.00000
O25 O 0.96975 0.55778 0.85430 1.00000
O26 O 0.46975 0.61546 0.41197 1.00000
O27 O 0.04651 0.13454 0.35430 1.00000
O28 O 0.54651 0.19222 0.91197 1.00000
O29 O 0.70349 0.11546 0.14570 1.00000
O30 O 0.20349 0.05778 0.58803 1.00000
O31 O 0.78025 0.69222 0.64570 1.00000
O32 O 0.28025 0.63454 0.08803 1.00000
O33 O 0.44222 0.29651 0.41197 1.00000
O34 O 0.38454 0.79651 0.85430 1.00000
O35 O 0.86546 0.21975 0.91197 1.00000
O36 O 0.80778 0.71975 0.35430 1.00000
O37 O 0.88454 0.03025 0.58803 1.00000
O38 O 0.94222 0.53025 0.14570 1.00000
O39 O 0.30778 0.95349 0.08803 1.00000
O40 O 0.36546 0.45349 0.64570 1.00000
