Pr3TmCd
Alexandria ALEXAlex-ID: agm005772889 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6477_spg12
Tm2Cd Pr PrCd
2023-07-03 05:27:57.481906
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772889).
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 agm005772889
data_agm005772889
_cell_length_a 3.60951
_cell_length_b 8.45120
_cell_length_c 11.43331
_cell_angle_alpha 106.83845
_cell_angle_beta 99.08217
_cell_angle_gamma 90.00000
_cell_volume 329.24522
_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
Pr1 Pr 0.01511 0.23839 0.03022 1.00000
Pr2 Pr 0.98489 0.76161 0.96978 1.00000
Pr3 Pr 0.37785 0.95962 0.75571 1.00000
Pr4 Pr 0.62215 0.04038 0.24429 1.00000
Pr5 Pr 0.17568 0.44969 0.35137 1.00000
Pr6 Pr 0.82432 0.55031 0.64863 1.00000
Tm1 Tm 0.73454 0.82232 0.46909 1.00000
Tm2 Tm 0.26546 0.17768 0.53091 1.00000
Cd1 Cd 0.57999 0.60572 0.15998 1.00000
Cd2 Cd 0.42001 0.39428 0.84002 1.00000
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