Ce2Er2Tm7
Alexandria ALEXAlex-ID: agm005570082 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_242_spg12
ErTm2 ErTm5 Ce
2023-06-04 04:03:52.104926
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570082).
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 agm005570082
data_agm005570082
_cell_length_a 5.90150
_cell_length_b 7.92003
_cell_length_c 7.92003
_cell_angle_alpha 92.55704
_cell_angle_beta 74.43195
_cell_angle_gamma 74.43194
_cell_volume 340.79442
_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 0.50000 0.78557 0.21443 1.00000
Ce2 Ce 0.50000 0.21443 0.78557 1.00000
Er1 Er 0.58631 0.76838 0.76838 1.00000
Er2 Er 0.41369 0.23162 0.23162 1.00000
Tm1 Tm 0.17229 0.06420 0.59116 1.00000
Tm2 Tm 0.82771 0.40884 0.93580 1.00000
Tm3 Tm 0.82771 0.93580 0.40884 1.00000
Tm4 Tm 0.17229 0.59116 0.06420 1.00000
Tm5 Tm 0.00000 0.00000 0.00000 1.00000
Tm6 Tm 0.80758 0.40597 0.40597 1.00000
Tm7 Tm 0.19242 0.59403 0.59403 1.00000
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