Tm3Ga3NiRh2
Alexandria ALEXAlex-ID: agm034331889 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
Tm2Ga2NiRh TmGaRh
2024-12-03 14:03:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034331889).
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 agm034331889
data_agm034331889
_cell_length_a 6.71119
_cell_length_b 4.24053
_cell_length_c 23.10104
_cell_angle_alpha 90.00000
_cell_angle_beta 89.95097
_cell_angle_gamma 90.00000
_cell_volume 657.43268
_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
Tm1 Tm 0.52979 0.00000 0.93716 1.00000
Tm2 Tm 0.52928 0.00000 0.60526 1.00000
Tm3 Tm 0.53128 0.00000 0.27137 1.00000
Tm4 Tm 0.02800 0.00000 0.89437 1.00000
Tm5 Tm 0.02693 0.00000 0.56357 1.00000
Tm6 Tm 0.02739 0.00000 0.22839 1.00000
Tm7 Tm 0.47345 0.50000 0.72850 1.00000
Tm8 Tm 0.47124 0.50000 0.39519 1.00000
Tm9 Tm 0.47145 0.50000 0.06042 1.00000
Tm10 Tm 0.97242 0.50000 0.77178 1.00000
Tm11 Tm 0.97015 0.50000 0.43872 1.00000
Tm12 Tm 0.97035 0.50000 0.10400 1.00000
Ga1 Ga 0.65038 0.00000 0.80837 1.00000
Ga2 Ga 0.65469 0.00000 0.47634 1.00000
Ga3 Ga 0.65482 0.00000 0.14172 1.00000
Ga4 Ga 0.15055 0.00000 0.69224 1.00000
Ga5 Ga 0.14485 0.00000 0.35588 1.00000
Ga6 Ga 0.14421 0.00000 0.02113 1.00000
Ga7 Ga 0.34452 0.50000 0.85170 1.00000
Ga8 Ga 0.34779 0.50000 0.52280 1.00000
Ga9 Ga 0.34935 0.50000 0.18786 1.00000
Ga10 Ga 0.84455 0.50000 0.97969 1.00000
Ga11 Ga 0.84226 0.50000 0.64839 1.00000
Ga12 Ga 0.84369 0.50000 0.31418 1.00000
Ni1 Ni 0.77323 0.00000 0.70625 1.00000
Ni2 Ni 0.77143 0.00000 0.37268 1.00000
Ni3 Ni 0.77164 0.00000 0.03795 1.00000
Ni4 Ni 0.27359 0.00000 0.79404 1.00000
Rh1 Rh 0.26453 0.00000 0.46181 1.00000
Rh2 Rh 0.26495 0.00000 0.12687 1.00000
Rh3 Rh 0.23596 0.50000 0.95982 1.00000
Rh4 Rh 0.23228 0.50000 0.63041 1.00000
Rh5 Rh 0.23460 0.50000 0.29522 1.00000
Rh6 Rh 0.73337 0.50000 0.87094 1.00000
Rh7 Rh 0.73548 0.50000 0.53973 1.00000
Rh8 Rh 0.73555 0.50000 0.20525 1.00000
