Pr6Er3Th2
Alexandria ALEXAlex-ID: agm005607017 · 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
A2B3C6_250_spg12
Er2Th Pr Th
2023-06-12 20:20:52.318764
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607017).
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 agm005607017
data_agm005607017
_cell_length_a 6.24462
_cell_length_b 6.24827
_cell_length_c 11.73995
_cell_angle_alpha 84.86380
_cell_angle_beta 79.67963
_cell_angle_gamma 60.01931
_cell_volume 390.35797
_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 0.41770 0.66750 0.74681 1.00000
Pr2 Pr 0.75039 1.00000 0.74723 1.00000
Pr3 Pr 0.08520 0.33250 0.74681 1.00000
Pr4 Pr 0.24961 0.00000 0.25277 1.00000
Pr5 Pr 0.58230 0.33250 0.25319 1.00000
Pr6 Pr 0.91480 0.66750 0.25319 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.33421 0.33159 0.00000 1.00000
Er3 Er 0.66579 0.66841 1.00000 1.00000
Th1 Th 0.16662 0.66676 0.50000 1.00000
Th2 Th 0.83338 0.33324 0.50000 1.00000
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