Th2Mg3Pd2
Alexandria ALEXAlex-ID: agm009652271 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_194_spg12
Mg29Pd4 ThMgPd Th
2024-03-29 01:18:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009652271).
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 agm009652271
data_agm009652271
_cell_length_a 7.08536
_cell_length_b 7.08536
_cell_length_c 7.68105
_cell_angle_alpha 58.24864
_cell_angle_beta 58.24864
_cell_angle_gamma 30.14850
_cell_volume 162.38015
_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
Th1 Th 0.36304 0.36304 0.29171 1.00000
Th2 Th 0.63696 0.63696 0.70829 1.00000
Mg1 Mg 0.68056 0.68056 0.18447 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
Mg3 Mg 0.31944 0.31944 0.81553 1.00000
Pd1 Pd 0.92680 0.92680 0.92395 1.00000
Pd2 Pd 0.07320 0.07320 0.07605 1.00000
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