Ce3(BeGe)4
Alexandria ALEXAlex-ID: agm005707668 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_0_spg71
CeBe13 Ce3(BeGe2)2 CeGe3
2023-06-29 19:46:22.122031
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707668).
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 agm005707668
data_agm005707668
_cell_length_a 4.00460
_cell_length_b 4.14901
_cell_length_c 12.00221
_cell_angle_alpha 99.95322
_cell_angle_beta 99.60344
_cell_angle_gamma 90.00000
_cell_volume 193.57872
_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
Ce1 Ce 0.35048 0.85048 0.70097 1.00000
Ce2 Ce 0.64952 0.14952 0.29903 1.00000
Ce3 Ce 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.24917 0.24917 0.49834 1.00000
Be2 Be 0.09828 0.59828 0.19657 1.00000
Be3 Be 0.90172 0.40172 0.80343 1.00000
Be4 Be 0.75083 0.75083 0.50166 1.00000
Ge1 Ge 0.80382 0.30382 0.60765 1.00000
Ge2 Ge 0.44580 0.44580 0.89159 1.00000
Ge3 Ge 0.55420 0.55420 0.10841 1.00000
Ge4 Ge 0.19618 0.69618 0.39235 1.00000
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