Pm2Nd2DyTm4
Alexandria ALEXAlex-ID: agm024276847 · 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
AB2C2D4_27_spg8
PmTm2 PmNd3Dy4 Nd DyTm5
2025-03-29 17:09:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024276847).
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
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# CIF generated by HEAS from Alexandria entry agm024276847
data_agm024276847
_cell_length_a 9.52647
_cell_length_b 9.52647
_cell_length_c 9.58002
_cell_angle_alpha 64.74145
_cell_angle_beta 115.25855
_cell_angle_gamma 158.21549
_cell_volume 290.60299
_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 0.14709 0.85291 0.16250 1.00000
Pm2 Pm 0.85291 0.14709 0.83750 1.00000
Nd1 Nd 0.66510 0.33490 0.50223 1.00000
Nd2 Nd 0.33490 0.66510 0.49777 1.00000
Dy1 Dy 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.18471 0.81529 0.83689 1.00000
Tm2 Tm 0.81529 0.18471 0.16311 1.00000
Tm3 Tm 0.48050 0.51950 0.16761 1.00000
Tm4 Tm 0.51950 0.48050 0.83239 1.00000
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