Li2Mg(PO3)4
Alexandria ALEXAlex-ID: agm011655342 · 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
AB2C4D12_3_spg2
LiPO3 Mg(PO3)2
2024-05-04 13:06:14.411530
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011655342).
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 agm011655342
data_agm011655342
_cell_length_a 5.34880
_cell_length_b 7.10474
_cell_length_c 7.20012
_cell_angle_alpha 108.88504
_cell_angle_beta 93.30336
_cell_angle_gamma 107.62017
_cell_volume 243.04192
_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
Li1 Li 0.64750 0.72481 0.55563 1.00000
Li2 Li 0.35250 0.27519 0.44437 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
P1 P 0.32087 0.78794 0.20758 1.00000
P2 P 0.86573 0.42294 0.23001 1.00000
P3 P 0.67913 0.21206 0.79242 1.00000
P4 P 0.13427 0.57706 0.76999 1.00000
O1 O 0.02155 0.27267 0.20338 1.00000
O2 O 0.57153 0.81924 0.33107 1.00000
O3 O 0.31133 0.63195 0.98341 1.00000
O4 O 0.68867 0.36805 0.01659 1.00000
O5 O 0.73642 0.01904 0.80538 1.00000
O6 O 0.42847 0.18076 0.66893 1.00000
O7 O 0.68955 0.43864 0.38295 1.00000
O8 O 0.97845 0.72733 0.79662 1.00000
O9 O 0.06166 0.65944 0.27590 1.00000
O10 O 0.93834 0.34056 0.72410 1.00000
O11 O 0.31045 0.56136 0.61705 1.00000
O12 O 0.26358 0.98096 0.19462 1.00000
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