EuGa2B2O7
Alexandria ALEXAlex-ID: agm002199718 · 空间群: R32 (#155)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_6_spg155
Eu(BO2)2 Ga2O3
2018-07-17 06:35:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199718).
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 agm002199718
data_agm002199718
_cell_length_a 4.97751
_cell_length_b 4.97751
_cell_length_c 8.86636
_cell_angle_alpha 73.68825
_cell_angle_beta 73.68825
_cell_angle_gamma 60.00435
_cell_volume 179.96451
_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
Eu1 Eu 0.99986 0.00014 0.00000 1.00000
B1 B 0.26601 0.26654 0.20140 1.00000
B2 B 0.73346 0.73399 0.79860 1.00000
O1 O 0.47169 0.69748 0.80580 1.00000
O2 O 0.69670 0.02490 0.80624 1.00000
O3 O 0.02453 0.47227 0.80560 1.00000
O4 O 0.50257 0.49743 0.50000 1.00000
O5 O 0.52773 0.97547 0.19440 1.00000
O6 O 0.97510 0.30330 0.19376 1.00000
O7 O 0.30252 0.52831 0.19420 1.00000
Ga1 Ga 0.43006 0.43023 0.70937 1.00000
Ga2 Ga 0.56977 0.56994 0.29063 1.00000
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