Tb3Tm5O
Alexandria ALEXAlex-ID: agm072338201 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1243_spg1
Tb5Tm4 TbTm5 Tm2O3
2024-09-24 16:55:23.023396
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072338201).
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 agm072338201
data_agm072338201
_cell_length_a 6.19287
_cell_length_b 6.22422
_cell_length_c 7.15080
_cell_angle_alpha 90.09102
_cell_angle_beta 106.64351
_cell_angle_gamma 99.72543
_cell_volume 259.92540
_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 0.29820 0.59915 0.19751 1.00000
Tb2 Tb 0.29681 0.59132 0.69490 1.00000
Tb3 Tb 0.79794 0.34987 0.32523 1.00000
Tm1 Tm 0.79068 0.34277 0.81564 1.00000
Tm2 Tm 0.29052 0.09492 0.94478 1.00000
Tm3 Tm 0.79970 0.84370 0.06707 1.00000
Tm4 Tm 0.29099 0.09001 0.44460 1.00000
Tm5 Tm 0.79482 0.84594 0.57312 1.00000
O1 O 0.16786 0.91616 0.16290 1.00000
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