HoEr3Th
Alexandria ALEXAlex-ID: agm005721458 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4822_spg12
HoEr5 Ho2Th Er2Th
2023-07-04 11:54:27.687925
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005721458).
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 agm005721458
data_agm005721458
_cell_length_a 6.21481
_cell_length_b 9.49014
_cell_length_c 8.40775
_cell_angle_alpha 136.68972
_cell_angle_beta 68.17214
_cell_angle_gamma 109.14945
_cell_volume 314.47524
_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
Ho1 Ho 0.61831 0.15504 0.25424 1.00000
Ho2 Ho 0.38169 0.84496 0.74576 1.00000
Er1 Er 0.41239 0.75166 0.25019 1.00000
Er2 Er 0.78736 0.65715 0.75463 1.00000
Er3 Er 0.82266 0.55503 0.25405 1.00000
Er4 Er 0.17734 0.44497 0.74595 1.00000
Er5 Er 0.58761 0.24834 0.74981 1.00000
Er6 Er 0.21264 0.34285 0.24537 1.00000
Th1 Th 0.97961 0.05382 0.75101 1.00000
Th2 Th 0.02039 0.94618 0.24899 1.00000
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