Li4CO4
Alexandria ALEXAlex-ID: agm005234523 · 空间群: I222 (#23)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4_252_spg23
Li2CO3 Li2O
2023-04-21 03:18:16.491553
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005234523).
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 agm005234523
data_agm005234523
_cell_length_a 5.04870
_cell_length_b 5.04870
_cell_length_c 5.04870
_cell_angle_alpha 128.66709
_cell_angle_beta 110.09352
_cell_angle_gamma 91.81384
_cell_volume 88.87980
_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 0.03339 0.21151 0.55948 1.00000
Li2 Li 0.34798 0.78849 0.82188 1.00000
Li3 Li 0.65202 0.47391 0.44052 1.00000
Li4 Li 0.96661 0.52609 0.17812 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
O1 O 0.97558 0.92396 0.66917 1.00000
O2 O 0.25479 0.30642 0.33083 1.00000
O3 O 0.02442 0.69358 0.94837 1.00000
O4 O 0.74521 0.07604 0.05163 1.00000
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