Ca7Eu2Cd3
Alexandria ALEXAlex-ID: agm101398570 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_696_spg8
Ca2Cd Ca Eu
2025-05-15 18:17:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101398570).
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 agm101398570
data_agm101398570
_cell_length_a 6.54896
_cell_length_b 6.54896
_cell_length_c 11.59548
_cell_angle_alpha 75.86498
_cell_angle_beta 104.13502
_cell_angle_gamma 113.81515
_cell_volume 435.21407
_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
Ca1 Ca 0.38022 0.38022 0.50000 1.00000
Ca2 Ca 0.59125 0.98447 0.73814 1.00000
Ca3 Ca 0.95724 0.75687 0.66034 1.00000
Ca4 Ca 0.22054 0.31851 0.80402 1.00000
Ca5 Ca 0.75687 0.95724 0.33966 1.00000
Ca6 Ca 0.31851 0.22054 0.19598 1.00000
Ca7 Ca 0.98447 0.59125 0.26186 1.00000
Eu1 Eu 0.79898 0.38167 0.97580 1.00000
Eu2 Eu 0.38167 0.79898 0.02420 1.00000
Cd1 Cd 0.92143 0.92143 0.00000 1.00000
Cd2 Cd 0.87091 0.31529 0.53104 1.00000
Cd3 Cd 0.31529 0.87091 0.46896 1.00000
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