CeTm5Sc
Alexandria ALEXAlex-ID: agm005807643 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_1161_spg8
Ce Tm Sc
2023-07-17 15:05:49.202482
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807643).
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 agm005807643
data_agm005807643
_cell_length_a 9.17893
_cell_length_b 15.91131
_cell_length_c 4.91780
_cell_angle_alpha 39.42695
_cell_angle_beta 36.54186
_cell_angle_gamma 29.75812
_cell_volume 205.31593
_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 0.86202 0.92495 0.35897 1.00000
Tm1 Tm 0.71551 0.21424 0.35557 1.00000
Tm2 Tm 0.14165 0.36034 0.35101 1.00000
Tm3 Tm 0.28351 0.07481 0.35194 1.00000
Tm4 Tm 0.00141 0.64297 0.35462 1.00000
Tm5 Tm 0.42735 0.78327 0.36504 1.00000
Sc1 Sc 0.56857 0.49942 0.36285 1.00000
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