Tb2Er5TmZr
Alexandria ALEXAlex-ID: agm005164366 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_252_spg36
Tb5Er4 Tb3(Er2Tm)2 Er5Tm TmZr5
2023-01-20 01:16:48.211718
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164366).
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 agm005164366
data_agm005164366
_cell_length_a 5.45179
_cell_length_b 10.48895
_cell_length_c 9.94583
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.06311
_cell_volume 549.19622
_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
Tb1 Tb 0.89045 0.78090 0.81088 1.00000
Tb2 Tb 0.12074 0.24148 0.73390 1.00000
Tb3 Tb 0.10955 0.21910 0.31088 1.00000
Tb4 Tb 0.87926 0.75852 0.23390 1.00000
Er1 Er 0.36266 0.72532 0.02240 1.00000
Er2 Er 0.73497 0.46993 0.83713 1.00000
Er3 Er 0.48357 0.96713 0.73802 1.00000
Er4 Er 0.30057 0.60114 0.69963 1.00000
Er5 Er 0.98412 0.96824 0.51252 1.00000
Er6 Er 0.63734 0.27468 0.52240 1.00000
Er7 Er 0.26503 0.53007 0.33713 1.00000
Er8 Er 0.51643 0.03287 0.23802 1.00000
Er9 Er 0.69943 0.39886 0.19963 1.00000
Er10 Er 0.01588 0.03176 0.01252 1.00000
Tm1 Tm 0.59737 0.19475 0.94814 1.00000
Tm2 Tm 0.40263 0.80525 0.44814 1.00000
Zr1 Zr 0.81225 0.62451 0.52136 1.00000
Zr2 Zr 0.18775 0.37549 0.02136 1.00000
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