K5Mg2P2(CO7)2
Alexandria ALEXAlex-ID: agm010136023 · 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
A2B2C2D5E14_31_spg2
K3(CO3)2 KMgPO4
2024-12-07 06:52:53.693095
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010136023).
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 agm010136023
data_agm010136023
_cell_length_a 5.50698
_cell_length_b 9.58957
_cell_length_c 14.76660
_cell_angle_alpha 93.22055
_cell_angle_beta 90.36990
_cell_angle_gamma 90.54273
_cell_volume 778.53192
_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
K1 K 0.76132 0.95243 0.60018 1.00000
K2 K 0.24198 0.72335 0.24256 1.00000
K3 K 0.29206 0.78902 0.01576 1.00000
K4 K 0.28563 0.76784 0.75368 1.00000
K5 K 0.24386 0.70985 0.50936 1.00000
K6 K 0.70794 0.21098 0.98424 1.00000
K7 K 0.75802 0.27665 0.75744 1.00000
K8 K 0.75614 0.29015 0.49064 1.00000
K9 K 0.71437 0.23216 0.24632 1.00000
K10 K 0.23868 0.04757 0.39982 1.00000
Mg1 Mg 0.79920 0.61311 0.92081 1.00000
Mg2 Mg 0.76244 0.62108 0.36574 1.00000
Mg3 Mg 0.20080 0.38689 0.07919 1.00000
Mg4 Mg 0.23756 0.37892 0.63426 1.00000
P1 P 0.72142 0.55895 0.12932 1.00000
P2 P 0.73575 0.59098 0.61594 1.00000
P3 P 0.27858 0.44105 0.87068 1.00000
P4 P 0.26425 0.40902 0.38406 1.00000
C1 C 0.78398 0.90665 0.86986 1.00000
C2 C 0.73638 0.89105 0.38507 1.00000
C3 C 0.26362 0.10895 0.61493 1.00000
C4 C 0.21602 0.09335 0.13014 1.00000
O1 O 0.31900 0.98638 0.16171 1.00000
O2 O 0.26975 0.97473 0.60077 1.00000
O3 O 0.01305 0.90882 0.88641 1.00000
O4 O 0.94188 0.82456 0.37989 1.00000
O5 O 0.53873 0.81476 0.37833 1.00000
O6 O 0.65504 0.79602 0.88617 1.00000
O7 O 0.75972 0.63180 0.22392 1.00000
O8 O 0.81576 0.65335 0.05386 1.00000
O9 O 0.80471 0.71832 0.67968 1.00000
O10 O 0.74702 0.63772 0.51630 1.00000
O11 O 0.44326 0.53076 0.11327 1.00000
O12 O 0.46943 0.54398 0.63461 1.00000
O13 O 0.13675 0.58225 0.88011 1.00000
O14 O 0.09128 0.53232 0.37128 1.00000
O15 O 0.86325 0.41775 0.11989 1.00000
O16 O 0.90872 0.46768 0.62872 1.00000
O17 O 0.55674 0.46924 0.88673 1.00000
O18 O 0.53057 0.45602 0.36539 1.00000
O19 O 0.18424 0.34665 0.94614 1.00000
O20 O 0.24028 0.36820 0.77608 1.00000
O21 O 0.25298 0.36228 0.48370 1.00000
O22 O 0.19529 0.28168 0.32032 1.00000
O23 O 0.34496 0.20398 0.11383 1.00000
O24 O 0.46127 0.18524 0.62167 1.00000
O25 O 0.98695 0.09118 0.11359 1.00000
O26 O 0.05812 0.17544 0.62011 1.00000
O27 O 0.68100 0.01362 0.83829 1.00000
O28 O 0.73025 0.02527 0.39923 1.00000
