Pm(SmHo)3
Alexandria ALEXAlex-ID: agm005879232 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_698_spg148
PmSm3Ho4 PmSm2 Sm
2023-08-06 14:13:37.165122
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005879232).
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 agm005879232
data_agm005879232
_cell_length_a 6.20993
_cell_length_b 6.20993
_cell_length_c 14.84411
_cell_angle_alpha 77.92621
_cell_angle_beta 77.92618
_cell_angle_gamma 59.99996
_cell_volume 481.06639
_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 0.66666 0.66666 0.00000 1.00000
Pm2 Pm 0.33334 0.33334 1.00000 1.00000
Sm1 Sm 0.19963 0.86798 0.39551 1.00000
Sm2 Sm 0.53688 0.19963 0.39551 1.00000
Sm3 Sm 0.86798 0.53688 0.39551 1.00000
Sm4 Sm 0.13202 0.46312 0.60449 1.00000
Sm5 Sm 0.46312 0.80037 0.60449 1.00000
Sm6 Sm 0.80037 0.13202 0.60449 1.00000
Ho1 Ho 0.93402 0.26735 0.19861 1.00000
Ho2 Ho 0.60003 0.93402 0.19861 1.00000
Ho3 Ho 0.26735 0.60003 0.19861 1.00000
Ho4 Ho 0.73265 0.39997 0.80139 1.00000
Ho5 Ho 0.39997 0.06598 0.80139 1.00000
Ho6 Ho 0.06598 0.73265 0.80139 1.00000
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