Eu2Mn(BO3)2
Alexandria ALEXAlex-ID: agm002256802 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_0_spg12
Mn3(BO3)2 Eu3(BO3)2
2019-01-10 07:04:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002256802).
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
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# CIF generated by HEAS from Alexandria entry agm002256802
data_agm002256802
_cell_length_a 5.22508
_cell_length_b 5.30316
_cell_length_c 6.31681
_cell_angle_alpha 115.04564
_cell_angle_beta 89.99944
_cell_angle_gamma 119.51535
_cell_volume 133.08179
_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 0.70683 0.41367 0.18522 1.00000
Eu2 Eu 0.29317 0.58633 0.81478 1.00000
B1 B 0.94580 0.89159 0.74139 1.00000
B2 B 0.05420 0.10841 0.25861 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
O1 O 0.77663 0.55326 0.65271 1.00000
O2 O 0.19473 0.93091 0.21471 1.00000
O3 O 0.26384 0.06910 0.78530 1.00000
O4 O 0.80527 0.06909 0.78529 1.00000
O5 O 0.73616 0.93090 0.21470 1.00000
O6 O 0.22337 0.44674 0.34729 1.00000
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