Sr2BePO
Alexandria ALEXAlex-ID: agm005000930 · 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
ABCD2_1609_spg11
Sr4P2O SrBe13 Sr3P2 SrBe3O4
2022-07-03 22:55:33.914266
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005000930).
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 agm005000930
data_agm005000930
_cell_length_a 3.80070
_cell_length_b 6.31942
_cell_length_c 8.61607
_cell_angle_alpha 109.73526
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 194.78786
_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 0.75000 0.79354 0.60811 1.00000
Sr2 Sr 0.75000 0.77580 0.03372 1.00000
Sr3 Sr 0.25000 0.20646 0.39189 1.00000
Sr4 Sr 0.25000 0.22420 0.96628 1.00000
Be1 Be 0.25000 0.54060 0.75473 1.00000
Be2 Be 0.75000 0.45940 0.24527 1.00000
P1 P 0.25000 0.65116 0.28906 1.00000
P2 P 0.75000 0.34884 0.71094 1.00000
O1 O 0.25000 0.80538 0.82628 1.00000
O2 O 0.75000 0.19462 0.17372 1.00000
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