Tb12Nd2Er
Alexandria ALEXAlex-ID: agm005802052 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_73_spg12
Tb5Er Tb5Nd3 Tb5Nd
2023-07-21 00:50:41.676195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802052).
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 agm005802052
data_agm005802052
_cell_length_a 6.66439
_cell_length_b 6.66439
_cell_length_c 25.04318
_cell_angle_alpha 96.52186
_cell_angle_beta 96.52208
_cell_angle_gamma 115.45476
_cell_volume 981.30973
_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 0.59708 0.59790 0.80041 1.00000
Tb2 Tb 0.09790 0.09709 0.80041 1.00000
Tb3 Tb 0.94292 0.94300 0.92740 1.00000
Tb4 Tb 0.39608 0.89608 0.86532 1.00000
Tb5 Tb 0.99897 0.99989 0.33005 1.00000
Tb6 Tb 0.10392 0.60392 0.13468 1.00000
Tb7 Tb 0.67844 0.17844 0.57196 1.00000
Tb8 Tb 0.49989 0.49897 0.33005 1.00000
Tb9 Tb 0.44300 0.44292 0.92740 1.00000
Tb10 Tb 0.55708 0.55700 0.07260 1.00000
Tb11 Tb 0.16591 0.16736 0.55516 1.00000
Tb12 Tb 0.82156 0.32156 0.42804 1.00000
Tb13 Tb 0.00011 0.00103 0.66995 1.00000
Tb14 Tb 0.33409 0.33264 0.44484 1.00000
Tb15 Tb 0.05700 0.05708 0.07260 1.00000
Tb16 Tb 0.83264 0.83409 0.44484 1.00000
Tb17 Tb 0.66736 0.66591 0.55516 1.00000
Tb18 Tb 0.90292 0.90210 0.19959 1.00000
Tb19 Tb 0.18066 0.68066 0.57291 1.00000
Tb20 Tb 0.50103 0.50011 0.66995 1.00000
Tb21 Tb 0.89577 0.39577 0.86473 1.00000
Tb22 Tb 0.40210 0.40291 0.19959 1.00000
Tb23 Tb 0.31934 0.81934 0.42709 1.00000
Tb24 Tb 0.60423 0.10423 0.13527 1.00000
Nd1 Nd 0.45575 0.95575 0.27211 1.00000
Nd2 Nd 0.95693 0.45693 0.27190 1.00000
Nd3 Nd 0.04425 0.54425 0.72789 1.00000
Nd4 Nd 0.54307 0.04307 0.72810 1.00000
Er1 Er 0.50020 0.00020 0.00027 1.00000
Er2 Er 0.99980 0.49980 0.99973 1.00000
