SrCaGa9Co2PbO20
Alexandria ALEXAlex-ID: agm010366390 · 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
ABCD2E9F20_0_spg1
SrGa4O7 CaGa4O7 Ga2PbO4 PbO2 Co3O4 Ga2O3
2024-12-19 22:54:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010366390).
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 agm010366390
data_agm010366390
_cell_length_a 5.15192
_cell_length_b 9.73431
_cell_length_c 9.73536
_cell_angle_alpha 73.91109
_cell_angle_beta 75.20210
_cell_angle_gamma 75.20352
_cell_volume 444.50495
_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 0.00337 0.00056 0.99803 1.00000
Ca1 Ca 0.80876 0.26722 0.26820 1.00000
Ga1 Ga 0.61998 0.72109 0.99148 1.00000
Ga2 Ga 0.61799 0.99890 0.72226 1.00000
Ga3 Ga 0.37884 0.28032 0.00235 1.00000
Ga4 Ga 0.37667 0.00898 0.28215 1.00000
Ga5 Ga 0.10166 0.57640 0.15105 1.00000
Ga6 Ga 0.09769 0.15463 0.58023 1.00000
Ga7 Ga 0.90011 0.41825 0.84708 1.00000
Ga8 Ga 0.89627 0.85016 0.42223 1.00000
Ga9 Ga 0.50236 0.62721 0.36912 1.00000
Co1 Co 0.00240 0.49540 0.50026 1.00000
Co2 Co 0.50216 0.37330 0.62337 1.00000
Pb1 Pb 0.21470 0.72434 0.72484 1.00000
O1 O 0.13039 0.39568 0.11901 1.00000
O2 O 0.13112 0.12553 0.39740 1.00000
O3 O 0.85857 0.60540 0.87115 1.00000
O4 O 0.85923 0.87786 0.60697 1.00000
O5 O 0.75916 0.45103 0.67875 1.00000
O6 O 0.76763 0.67945 0.45181 1.00000
O7 O 0.24111 0.54059 0.31859 1.00000
O8 O 0.25104 0.31887 0.54162 1.00000
O9 O 0.73832 0.28286 0.00202 1.00000
O10 O 0.73845 0.00400 0.28465 1.00000
O11 O 0.25301 0.72329 0.01047 1.00000
O12 O 0.25338 0.01195 0.72448 1.00000
O13 O 0.27434 0.33456 0.82091 1.00000
O14 O 0.27409 0.82660 0.34206 1.00000
O15 O 0.72597 0.65878 0.17218 1.00000
O16 O 0.72600 0.17872 0.66708 1.00000
O17 O 0.26192 0.56029 0.56937 1.00000
O18 O 0.74055 0.42479 0.43479 1.00000
O19 O 0.30415 0.09688 0.09765 1.00000
O20 O 0.68864 0.90613 0.90639 1.00000
