PrSm2ErTm5
Alexandria ALEXAlex-ID: agm005166191 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_275_spg140
PrSm4 ErTm5 Pr
2023-01-19 13:54:30.945952
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166191).
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 agm005166191
data_agm005166191
_cell_length_a 8.74548
_cell_length_b 8.74548
_cell_length_c 9.74579
_cell_angle_alpha 116.65903
_cell_angle_beta 116.65903
_cell_angle_gamma 90.00000
_cell_volume 576.11167
_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 0.25000 0.25000 0.50000 1.00000
Pr2 Pr 0.75000 0.75000 0.50000 1.00000
Sm1 Sm 0.11526 0.38474 0.00000 1.00000
Sm2 Sm 0.61526 0.11526 0.00000 1.00000
Sm3 Sm 0.38474 0.88474 1.00000 1.00000
Sm4 Sm 0.88474 0.61526 0.00000 1.00000
Er1 Er 0.25000 0.75000 0.50000 1.00000
Er2 Er 0.75000 0.25000 0.50000 1.00000
Tm1 Tm 0.92703 0.42703 0.27130 1.00000
Tm2 Tm 0.65573 0.15573 0.72870 1.00000
Tm3 Tm 0.07297 0.57297 0.72870 1.00000
Tm4 Tm 0.15573 0.07297 0.72870 1.00000
Tm5 Tm 0.57297 0.65573 0.72870 1.00000
Tm6 Tm 0.84427 0.92703 0.27130 1.00000
Tm7 Tm 0.42703 0.34427 0.27130 1.00000
Tm8 Tm 0.34427 0.84427 0.27130 1.00000
Tm9 Tm 0.50000 0.50000 0.00000 1.00000
Tm10 Tm 0.00000 0.00000 0.00000 1.00000
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