ZrTi2Ga
Alexandria ALEXAlex-ID: agm005779775 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_4645_spg6
Zr3Ti2Ga3 Ti
2023-07-14 19:05:39.197780
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779775).
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 agm005779775
data_agm005779775
_cell_length_a 4.80660
_cell_length_b 3.15187
_cell_length_c 10.09901
_cell_angle_alpha 108.19400
_cell_angle_beta 87.18510
_cell_angle_gamma 89.97513
_cell_volume 145.15319
_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
Zr1 Zr 0.24120 0.10825 0.60853 1.00000
Zr2 Zr 0.75880 0.89175 0.39147 1.00000
Ti1 Ti 0.71045 0.39380 0.89373 1.00000
Ti2 Ti 0.28955 0.60620 0.10627 1.00000
Ti3 Ti 0.19768 0.87602 0.87608 1.00000
Ti4 Ti 0.80232 0.12398 0.12392 1.00000
Ga1 Ga 0.73600 0.66102 0.66103 1.00000
Ga2 Ga 0.26400 0.33898 0.33897 1.00000
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