Er2TmPuSc4
Alexandria ALEXAlex-ID: agm004863377 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_458_spg65
Er2Tm Pu Sc
2022-07-19 22:45:06.752198
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004863377).
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 agm004863377
data_agm004863377
_cell_length_a 5.72124
_cell_length_b 5.72236
_cell_length_c 8.88238
_cell_angle_alpha 49.87720
_cell_angle_beta 79.16187
_cell_angle_gamma 72.99789
_cell_volume 212.64586
_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
Er1 Er 0.00000 0.00000 1.00000 1.00000
Er2 Er 0.50000 0.00000 0.50000 1.00000
Tm1 Tm 0.50000 0.50000 1.00000 1.00000
Pu1 Pu 0.00000 0.49999 0.50000 1.00000
Sc1 Sc 0.99995 0.24322 0.25689 1.00000
Sc2 Sc 0.00005 0.75678 0.74311 1.00000
Sc3 Sc 0.49993 0.25691 0.74307 1.00000
Sc4 Sc 0.50007 0.74309 0.25693 1.00000
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