Ti3Pt2Rh
Alexandria ALEXAlex-ID: agm020900656 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_5984_spg2
TiPt TiRh
2025-04-15 10:53:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020900656).
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 agm020900656
data_agm020900656
_cell_length_a 5.52369
_cell_length_b 7.40337
_cell_length_c 9.45371
_cell_angle_alpha 80.06017
_cell_angle_beta 76.61765
_cell_angle_gamma 81.64593
_cell_volume 368.21182
_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
Ti1 Ti 0.66959 0.08349 0.37690 1.00000
Ti2 Ti 0.33598 0.41778 0.87680 1.00000
Ti3 Ti 0.32845 0.41469 0.37195 1.00000
Ti4 Ti 0.66689 0.08393 0.87443 1.00000
Ti5 Ti 0.00331 0.75238 0.37615 1.00000
Ti6 Ti 0.99653 0.74834 0.87349 1.00000
Ti7 Ti 0.00347 0.25166 0.12651 1.00000
Ti8 Ti 0.99669 0.24762 0.62385 1.00000
Ti9 Ti 0.33311 0.91607 0.12557 1.00000
Ti10 Ti 0.67155 0.58531 0.62805 1.00000
Ti11 Ti 0.66402 0.58222 0.12320 1.00000
Ti12 Ti 0.33041 0.91651 0.62310 1.00000
Pt1 Pt 0.50325 0.24976 0.12446 1.00000
Pt2 Pt 0.49753 0.24971 0.62555 1.00000
Pt3 Pt 0.83497 0.91638 0.12515 1.00000
Pt4 Pt 0.16961 0.58282 0.62415 1.00000
Pt5 Pt 0.83039 0.41718 0.37585 1.00000
Pt6 Pt 0.16503 0.08362 0.87485 1.00000
Pt7 Pt 0.50247 0.75029 0.37445 1.00000
Pt8 Pt 0.49675 0.75024 0.87554 1.00000
Rh1 Rh 0.16327 0.58222 0.12505 1.00000
Rh2 Rh 0.83201 0.91618 0.62550 1.00000
Rh3 Rh 0.16799 0.08382 0.37450 1.00000
Rh4 Rh 0.83673 0.41778 0.87495 1.00000
