TbPm7Nd4
Alexandria ALEXAlex-ID: agm003669975 · 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
AB4C7_93_spg12
Pm2Nd TbPmNd
2022-04-20 11:57:23.111016
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669975).
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 agm003669975
data_agm003669975
_cell_length_a 6.06989
_cell_length_b 9.86241
_cell_length_c 8.76385
_cell_angle_alpha 60.33565
_cell_angle_beta 69.73865
_cell_angle_gamma 72.07760
_cell_volume 421.64549
_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 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.78969 0.87602 0.54461 1.00000
Pm2 Pm 0.21031 0.12398 0.45539 1.00000
Pm3 Pm 0.08082 0.56371 0.27465 1.00000
Pm4 Pm 0.91918 0.43629 0.72535 1.00000
Pm5 Pm 0.20737 0.77613 0.80913 1.00000
Pm6 Pm 0.50000 0.00000 0.00000 1.00000
Pm7 Pm 0.79263 0.22387 0.19087 1.00000
Nd1 Nd 0.57477 0.29917 0.55128 1.00000
Nd2 Nd 0.42523 0.70083 0.44872 1.00000
Nd3 Nd 0.67368 0.61166 0.04098 1.00000
Nd4 Nd 0.32632 0.38834 0.95902 1.00000
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