Li4PmBr8
Alexandria ALEXAlex-ID: agm097701650 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_22_spg12
PmBr3 Br LiBr
2025-06-16 10:09:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097701650).
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 agm097701650
data_agm097701650
_cell_length_a 5.79526
_cell_length_b 10.35973
_cell_length_c 9.70893
_cell_angle_alpha 134.47144
_cell_angle_beta 96.36769
_cell_angle_gamma 95.60076
_cell_volume 400.56324
_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 0.26266 0.32804 0.15526 1.00000
Li2 Li 0.99231 0.45708 0.85815 1.00000
Li3 Li 0.97619 0.60054 0.56181 1.00000
Li4 Li 0.90447 0.99130 0.51635 1.00000
Pm1 Pm 0.61782 0.95662 0.09964 1.00000
Br1 Br 0.80874 0.72637 0.13608 1.00000
Br2 Br 0.70290 0.31542 0.22144 1.00000
Br3 Br 0.66094 0.18376 0.51556 1.00000
Br4 Br 0.71355 0.84326 0.72884 1.00000
Br5 Br 0.14717 0.07172 0.15054 1.00000
Br6 Br 0.26239 0.67811 0.43267 1.00000
Br7 Br 0.26176 0.60168 0.78022 1.00000
Br8 Br 0.18910 0.24611 0.84344 1.00000
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