Ce3Tm(BO3)4
Alexandria ALEXAlex-ID: agm011685200 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D12_60_spg2
CeBO3 TmBO3
2024-04-21 09:45:35.277362
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011685200).
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 agm011685200
data_agm011685200
_cell_length_a 5.10565
_cell_length_b 6.54164
_cell_length_c 8.31907
_cell_angle_alpha 72.01674
_cell_angle_beta 89.90588
_cell_angle_gamma 90.00453
_cell_volume 264.27689
_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
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Ce2 Ce 0.00000 0.00000 0.50000 1.00000
Ce3 Ce 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
B1 B 0.50054 0.00252 0.75909 1.00000
B2 B 0.99958 0.50739 0.24575 1.00000
B3 B 0.49946 0.99748 0.24091 1.00000
B4 B 0.00042 0.49261 0.75425 1.00000
O1 O 0.22824 0.00043 0.76549 1.00000
O2 O 0.72853 0.49540 0.25032 1.00000
O3 O 0.14054 0.36848 0.37726 1.00000
O4 O 0.64955 0.87396 0.89152 1.00000
O5 O 0.62638 0.13219 0.61473 1.00000
O6 O 0.12747 0.65295 0.11169 1.00000
O7 O 0.77176 0.99957 0.23451 1.00000
O8 O 0.27147 0.50460 0.74968 1.00000
O9 O 0.85946 0.63152 0.62274 1.00000
O10 O 0.35045 0.12604 0.10848 1.00000
O11 O 0.37362 0.86781 0.38527 1.00000
O12 O 0.87253 0.34705 0.88831 1.00000
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