Tb5Y12Tm
Alexandria ALEXAlex-ID: agm067298317 · 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
AB5C12_18_spg12
Tb2Y7 Tb5Y Y5Tm
2024-12-04 17:01:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067298317).
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 agm067298317
data_agm067298317
_cell_length_a 6.22744
_cell_length_b 6.22744
_cell_length_c 17.31677
_cell_angle_alpha 86.56572
_cell_angle_beta 93.43428
_cell_angle_gamma 60.00224
_cell_volume 577.41411
_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 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.16681 0.16681 0.00000 1.00000
Tb3 Tb 0.83319 0.83319 0.00000 1.00000
Tb4 Tb 0.66667 0.66667 0.50000 1.00000
Tb5 Tb 0.33333 0.33333 0.50000 1.00000
Y1 Y 0.11120 0.88880 0.83284 1.00000
Y2 Y 0.88880 0.11120 0.16716 1.00000
Y3 Y 0.38826 0.61174 0.66646 1.00000
Y4 Y 0.61174 0.38826 0.33354 1.00000
Y5 Y 0.05573 0.27680 0.66645 1.00000
Y6 Y 0.27680 0.05573 0.33355 1.00000
Y7 Y 0.72320 0.94427 0.66645 1.00000
Y8 Y 0.94427 0.72320 0.33355 1.00000
Y9 Y 0.22219 0.44445 0.16720 1.00000
Y10 Y 0.55555 0.77781 0.16720 1.00000
Y11 Y 0.44445 0.22219 0.83280 1.00000
Y12 Y 0.77781 0.55555 0.83280 1.00000
Tm1 Tm 0.00000 0.00000 0.50000 1.00000
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