Sr2Mn3Te2(PO7)2
Alexandria ALEXAlex-ID: agm010131313 · 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
A2B2C2D3E14_8_spg14
Mn6Te5O16 SrMn2(PO4)2 Mn2Te3O8 Sr3(PO4)2
2025-01-15 09:03:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010131313).
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 agm010131313
data_agm010131313
_cell_length_a 5.43259
_cell_length_b 7.92433
_cell_length_c 15.79450
_cell_angle_alpha 90.00000
_cell_angle_beta 91.84016
_cell_angle_gamma 90.00000
_cell_volume 679.59733
_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
Sr1 Sr 0.50170 0.55433 0.79889 1.00000
Sr2 Sr 0.49830 0.05433 0.70111 1.00000
Sr3 Sr 0.49830 0.44567 0.20111 1.00000
Sr4 Sr 0.50170 0.94567 0.29889 1.00000
Mn1 Mn 0.02118 0.87087 0.88014 1.00000
Mn2 Mn 0.97882 0.37087 0.61986 1.00000
Mn3 Mn 0.97882 0.12913 0.11986 1.00000
Mn4 Mn 0.02118 0.62913 0.38014 1.00000
Mn5 Mn 0.00000 0.50000 0.00000 1.00000
Mn6 Mn 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.48838 0.78249 0.00886 1.00000
Te2 Te 0.51162 0.28249 0.49114 1.00000
Te3 Te 0.51162 0.21751 0.99114 1.00000
Te4 Te 0.48838 0.71751 0.50886 1.00000
P1 P 0.05921 0.76244 0.69237 1.00000
P2 P 0.94079 0.26244 0.80763 1.00000
P3 P 0.94079 0.23756 0.30763 1.00000
P4 P 0.05921 0.73756 0.19237 1.00000
O1 O 0.22711 0.82016 0.77096 1.00000
O2 O 0.77289 0.32016 0.72904 1.00000
O3 O 0.77289 0.17984 0.22904 1.00000
O4 O 0.22711 0.67984 0.27096 1.00000
O5 O 0.74857 0.72879 0.93444 1.00000
O6 O 0.25143 0.22879 0.56556 1.00000
O7 O 0.25143 0.27121 0.06556 1.00000
O8 O 0.74857 0.77121 0.43444 1.00000
O9 O 0.27790 0.63426 0.93927 1.00000
O10 O 0.72210 0.13426 0.56073 1.00000
O11 O 0.72210 0.36574 0.06073 1.00000
O12 O 0.27790 0.86574 0.43927 1.00000
O13 O 0.15857 0.58426 0.66996 1.00000
O14 O 0.84143 0.08426 0.83004 1.00000
O15 O 0.84143 0.41574 0.33004 1.00000
O16 O 0.15857 0.91574 0.16996 1.00000
O17 O 0.11379 0.88964 0.62086 1.00000
O18 O 0.88621 0.38964 0.87914 1.00000
O19 O 0.88621 0.11036 0.37914 1.00000
O20 O 0.11379 0.61036 0.12086 1.00000
O21 O 0.78524 0.76225 0.71612 1.00000
O22 O 0.21476 0.26225 0.78388 1.00000
O23 O 0.21476 0.23775 0.28388 1.00000
O24 O 0.78524 0.73775 0.21612 1.00000
O25 O 0.30261 0.96854 0.95870 1.00000
O26 O 0.69739 0.46854 0.54130 1.00000
O27 O 0.69739 0.03146 0.04130 1.00000
O28 O 0.30261 0.53146 0.45870 1.00000
