PrTmTi2(Cr8Ru3)2
Alexandria ALEXAlex-ID: agm010622901 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6E16_0_spg8
PrRu2 TmRu2 Cr TiRu
2024-06-28 02:48:36.921211
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010622901).
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 agm010622901
data_agm010622901
_cell_length_a 6.62631
_cell_length_b 6.62631
_cell_length_c 12.36409
_cell_angle_alpha 87.06728
_cell_angle_beta 87.06728
_cell_angle_gamma 42.19979
_cell_volume 364.11528
_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 0.50100 0.50100 0.49945 1.00000
Tm1 Tm 0.00015 0.00015 0.99947 1.00000
Ti1 Ti 0.68493 0.68493 0.31344 1.00000
Ti2 Ti 0.18152 0.18152 0.81998 1.00000
Cr1 Cr 0.61457 0.61457 0.11201 1.00000
Cr2 Cr 0.11494 0.11494 0.61769 1.00000
Cr3 Cr 0.88416 0.88416 0.38230 1.00000
Cr4 Cr 0.38664 0.38664 0.88783 1.00000
Cr5 Cr 0.10238 0.10238 0.39477 1.00000
Cr6 Cr 0.59556 0.59556 0.90736 1.00000
Cr7 Cr 0.39908 0.39908 0.09877 1.00000
Cr8 Cr 0.89096 0.89096 0.61124 1.00000
Cr9 Cr 0.25246 0.74483 0.24488 1.00000
Cr10 Cr 0.75169 0.24431 0.75140 1.00000
Cr11 Cr 0.74483 0.25246 0.24488 1.00000
Cr12 Cr 0.24431 0.75169 0.75140 1.00000
Cr13 Cr 0.99853 0.50635 0.50181 1.00000
Cr14 Cr 0.49790 0.00519 0.00146 1.00000
Cr15 Cr 0.50635 0.99853 0.50181 1.00000
Cr16 Cr 0.00519 0.49790 0.00146 1.00000
Ru1 Ru 0.31735 0.31735 0.32086 1.00000
Ru2 Ru 0.81635 0.81635 0.82537 1.00000
Ru3 Ru 0.17750 0.17750 0.18061 1.00000
Ru4 Ru 0.67599 0.67599 0.68555 1.00000
Ru5 Ru 0.82965 0.82965 0.16843 1.00000
Ru6 Ru 0.32598 0.32598 0.67576 1.00000
