Pr4Nd4Tm3
Alexandria ALEXAlex-ID: agm005704097 · 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_214_spg2
PrNd2 NdTm2 Pr
2023-07-02 01:44:00.307080
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704097).
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 agm005704097
data_agm005704097
_cell_length_a 3.59071
_cell_length_b 5.72816
_cell_length_c 18.62893
_cell_angle_alpha 98.85135
_cell_angle_beta 95.63469
_cell_angle_gamma 90.01474
_cell_volume 376.72417
_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 0.59766 0.09543 0.19023 1.00000
Pr2 Pr 0.27604 0.27797 0.55627 1.00000
Pr3 Pr 0.72391 0.72205 0.44373 1.00000
Pr4 Pr 0.40232 0.90460 0.80977 1.00000
Nd1 Nd 0.54477 0.54333 0.08665 1.00000
Nd2 Nd 0.45523 0.45670 0.91335 1.00000
Nd3 Nd 0.81617 0.81807 0.63669 1.00000
Nd4 Nd 0.18378 0.18195 0.36331 1.00000
Tm1 Tm 0.13344 0.63007 0.25954 1.00000
Tm2 Tm 0.86654 0.36995 0.74046 1.00000
Tm3 Tm 1.00000 0.00001 1.00000 1.00000
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