Sr3Cr16O32
Alexandria ALEXAlex-ID: agm008079331 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B16C32_0_spg2
CrO2 SrCrO4 Cr2O3
2025-02-18 07:24:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008079331).
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 agm008079331
data_agm008079331
_cell_length_a 8.24959
_cell_length_b 8.36561
_cell_length_c 9.93756
_cell_angle_alpha 66.86431
_cell_angle_beta 68.10406
_cell_angle_gamma 76.03193
_cell_volume 581.54223
_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 0.02595 0.98116 0.01281 1.00000
Sr2 Sr 0.68428 0.68770 0.30243 1.00000
Sr3 Sr 0.31188 0.31752 0.68249 1.00000
Cr1 Cr 0.93427 0.22823 0.24739 1.00000
Cr2 Cr 0.87678 0.20034 0.61818 1.00000
Cr3 Cr 0.36881 0.05134 0.13351 1.00000
Cr4 Cr 0.81605 0.52261 0.99955 1.00000
Cr5 Cr 0.56526 0.27010 0.25242 1.00000
Cr6 Cr 0.31224 0.01943 0.50501 1.00000
Cr7 Cr 0.61834 0.29803 0.88613 1.00000
Cr8 Cr 0.86790 0.54884 0.63382 1.00000
Cr9 Cr 0.12401 0.44945 0.36720 1.00000
Cr10 Cr 0.37741 0.69404 0.12100 1.00000
Cr11 Cr 0.18194 0.47944 0.99873 1.00000
Cr12 Cr 0.68736 0.97643 0.49688 1.00000
Cr13 Cr 0.43652 0.72441 0.74738 1.00000
Cr14 Cr 0.62948 0.94741 0.86975 1.00000
Cr15 Cr 0.12066 0.79980 0.38442 1.00000
Cr16 Cr 0.06285 0.77247 0.75510 1.00000
O1 O 0.84519 0.13165 0.47295 1.00000
O2 O 0.76311 0.07528 0.26713 1.00000
O3 O 0.62827 0.04549 0.01847 1.00000
O4 O 0.87526 0.29672 0.76717 1.00000
O5 O 0.61741 0.20036 0.73552 1.00000
O6 O 0.86499 0.45383 0.48108 1.00000
O7 O 0.49059 0.16257 0.48406 1.00000
O8 O 0.73715 0.41887 0.23051 1.00000
O9 O 0.40052 0.11487 0.27898 1.00000
O10 O 0.65302 0.36516 0.02851 1.00000
O11 O 0.11790 0.03308 0.22559 1.00000
O12 O 0.98402 0.67276 0.98753 1.00000
O13 O 0.89988 0.61629 0.78580 1.00000
O14 O 0.36770 0.28321 0.97832 1.00000
O15 O 0.86698 0.79049 0.48903 1.00000
O16 O 0.61482 0.53875 0.74104 1.00000
O17 O 0.12966 0.21632 0.52304 1.00000
O18 O 0.63174 0.71129 0.02629 1.00000
O19 O 0.37743 0.46434 0.26289 1.00000
O20 O 0.09450 0.38135 0.22143 1.00000
O21 O 0.01015 0.33112 0.01460 1.00000
O22 O 0.87739 0.96522 0.77019 1.00000
O23 O 0.59628 0.88240 0.72274 1.00000
O24 O 0.34636 0.63682 0.96881 1.00000
O25 O 0.26196 0.58225 0.76651 1.00000
O26 O 0.51500 0.82911 0.51731 1.00000
O27 O 0.12654 0.54704 0.51772 1.00000
O28 O 0.37799 0.79648 0.26761 1.00000
O29 O 0.11445 0.70520 0.23203 1.00000
O30 O 0.36935 0.94845 0.98487 1.00000
O31 O 0.23995 0.91532 0.73797 1.00000
O32 O 0.15114 0.86787 0.53139 1.00000
