ErMg2Pd3
Alexandria ALEXAlex-ID: agm035310331 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_6733_spg12
MgPd ErPd
2025-04-14 03:21:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035310331).
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 agm035310331
data_agm035310331
_cell_length_a 14.32806
_cell_length_b 14.32806
_cell_length_c 4.63994
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 153.14538
_cell_volume 430.29304
_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
Er1 Er 0.79236 0.20764 0.75000 1.00000
Er2 Er 0.20764 0.79236 0.25000 1.00000
Er3 Er 0.04467 0.95533 0.25000 1.00000
Er4 Er 0.95533 0.04467 0.75000 1.00000
Mg1 Mg 0.87559 0.12441 0.25000 1.00000
Mg2 Mg 0.29031 0.70969 0.75000 1.00000
Mg3 Mg 0.70969 0.29031 0.25000 1.00000
Mg4 Mg 0.12441 0.87559 0.75000 1.00000
Mg5 Mg 0.62442 0.37558 0.75000 1.00000
Mg6 Mg 0.53983 0.46017 0.25000 1.00000
Mg7 Mg 0.46017 0.53983 0.75000 1.00000
Mg8 Mg 0.37558 0.62442 0.25000 1.00000
Pd1 Pd 0.53383 0.94406 0.25000 1.00000
Pd2 Pd 0.05594 0.46617 0.25000 1.00000
Pd3 Pd 0.46617 0.05594 0.75000 1.00000
Pd4 Pd 0.94406 0.53383 0.75000 1.00000
Pd5 Pd 0.39272 0.14192 0.25000 1.00000
Pd6 Pd 0.85808 0.60728 0.25000 1.00000
Pd7 Pd 0.78124 0.69618 0.75000 1.00000
Pd8 Pd 0.30382 0.21876 0.75000 1.00000
Pd9 Pd 0.21876 0.30382 0.25000 1.00000
Pd10 Pd 0.69618 0.78124 0.25000 1.00000
Pd11 Pd 0.60728 0.85808 0.75000 1.00000
Pd12 Pd 0.14192 0.39272 0.75000 1.00000
