CoSb(PO4)2
Alexandria ALEXAlex-ID: agm005228010 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_2269_spg11
Co(PO3)2 Co3(PO4)2 SbPO5 SbPO4
2024-10-09 18:41:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228010).
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 agm005228010
data_agm005228010
_cell_length_a 6.07384
_cell_length_b 10.34092
_cell_length_c 9.97139
_cell_angle_alpha 88.16784
_cell_angle_beta 89.96828
_cell_angle_gamma 89.95676
_cell_volume 625.97328
_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
Co1 Co 0.75047 0.68046 0.20087 1.00000
Co2 Co 0.24959 0.28415 0.77462 1.00000
Co3 Co 0.75041 0.21585 0.22538 1.00000
Co4 Co 0.24952 0.81954 0.79913 1.00000
Sb1 Sb 0.25132 0.46732 0.28176 1.00000
Sb2 Sb 0.24986 0.98250 0.27277 1.00000
Sb3 Sb 0.74866 0.03268 0.71825 1.00000
Sb4 Sb 0.75015 0.51750 0.72723 1.00000
P1 P 0.24960 0.19066 0.08048 1.00000
P2 P 0.25002 0.71169 0.09787 1.00000
P3 P 0.75042 0.30934 0.91952 1.00000
P4 P 0.74997 0.78831 0.90212 1.00000
P5 P 0.75110 0.43094 0.40550 1.00000
P6 P 0.74991 0.95488 0.39740 1.00000
P7 P 0.24888 0.06906 0.59450 1.00000
P8 P 0.25009 0.54512 0.60260 1.00000
O1 O 0.75039 0.33828 0.06752 1.00000
O2 O 0.75142 0.80493 0.05208 1.00000
O3 O 0.24962 0.16173 0.93248 1.00000
O4 O 0.24857 0.69508 0.94792 1.00000
O5 O 0.24979 0.33376 0.10709 1.00000
O6 O 0.24988 0.86152 0.12252 1.00000
O7 O 0.75023 0.16624 0.89291 1.00000
O8 O 0.75013 0.63848 0.87749 1.00000
O9 O 0.74995 0.10118 0.38249 1.00000
O10 O 0.74929 0.57475 0.36974 1.00000
O11 O 0.25004 0.39882 0.61751 1.00000
O12 O 0.25073 0.92525 0.63025 1.00000
O13 O 0.24970 0.08978 0.43570 1.00000
O14 O 0.25004 0.59187 0.45584 1.00000
O15 O 0.75030 0.41022 0.56430 1.00000
O16 O 0.74997 0.90813 0.54416 1.00000
O17 O 0.05411 0.11496 0.16250 1.00000
O18 O 0.05509 0.64030 0.17138 1.00000
O19 O 0.44483 0.11466 0.16235 1.00000
O20 O 0.44634 0.64073 0.17008 1.00000
O21 O 0.55519 0.38534 0.83765 1.00000
O22 O 0.55365 0.85927 0.82992 1.00000
O23 O 0.94591 0.38504 0.83750 1.00000
O24 O 0.94489 0.85970 0.82862 1.00000
O25 O 0.95258 0.35611 0.34850 1.00000
O26 O 0.96042 0.89280 0.32674 1.00000
O27 O 0.55199 0.35457 0.34796 1.00000
O28 O 0.53962 0.89291 0.32673 1.00000
O29 O 0.04738 0.14388 0.65149 1.00000
O30 O 0.03958 0.60721 0.67326 1.00000
O31 O 0.44797 0.14545 0.65204 1.00000
O32 O 0.46039 0.60709 0.67327 1.00000
