Pm4Ho3Sc4
Alexandria ALEXAlex-ID: agm003381069 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_25_spg71
Pm3Ho5 Pm Sc
2022-02-09 07:02:49.108229
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003381069).
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 agm003381069
data_agm003381069
_cell_length_a 3.43111
_cell_length_b 5.49158
_cell_length_c 17.55870
_cell_angle_alpha 81.01976
_cell_angle_beta 84.39710
_cell_angle_gamma 89.99549
_cell_volume 325.18918
_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
Pm1 Pm 0.59143 0.09110 0.81839 1.00000
Pm2 Pm 0.26903 0.26887 0.46219 1.00000
Pm3 Pm 0.73101 0.73116 0.53781 1.00000
Pm4 Pm 0.40859 0.90894 0.18161 1.00000
Ho1 Ho 0.13654 0.63593 0.72865 1.00000
Ho2 Ho 0.86350 0.36410 0.27133 1.00000
Ho3 Ho 1.00000 0.00001 0.00001 1.00000
Sc1 Sc 0.54509 0.54440 0.91185 1.00000
Sc2 Sc 0.45491 0.45562 0.08817 1.00000
Sc3 Sc 0.31822 0.81914 0.36153 1.00000
Sc4 Sc 0.68182 0.18089 0.63846 1.00000
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