CeGa2Pd3
Alexandria ALEXAlex-ID: agm005703482 · 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
AB2C3_326_spg12
Ce2Ga5Pd3 Ce(Ga2Pd3)2 CeGaPd2
2023-08-17 23:24:08.165481
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703482).
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 agm005703482
data_agm005703482
_cell_length_a 4.07269
_cell_length_b 8.70275
_cell_length_c 10.02203
_cell_angle_alpha 106.48437
_cell_angle_beta 90.00000
_cell_angle_gamma 103.53202
_cell_volume 330.31975
_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
Ce1 Ce 0.16519 0.33037 0.70633 1.00000
Ce2 Ce 0.83481 0.66963 0.29367 1.00000
Ce3 Ce 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.19414 0.38828 0.12613 1.00000
Ga2 Ga 0.80586 0.61172 0.87387 1.00000
Ga3 Ga 0.45926 0.91852 0.22509 1.00000
Ga4 Ga 0.54074 0.08148 0.77491 1.00000
Ga5 Ga 0.36211 0.72422 0.54569 1.00000
Ga6 Ga 0.63789 0.27578 0.45431 1.00000
Pd1 Pd 0.04250 0.08500 0.33431 1.00000
Pd2 Pd 0.95750 0.91500 0.66569 1.00000
Pd3 Pd 0.21672 0.43344 0.39166 1.00000
Pd4 Pd 0.78328 0.56656 0.60834 1.00000
Pd5 Pd 0.61383 0.22766 0.19186 1.00000
Pd6 Pd 0.38617 0.77234 0.80814 1.00000
Pd7 Pd 0.50000 0.00000 0.50000 1.00000
Pd8 Pd 0.32149 0.64298 0.03895 1.00000
Pd9 Pd 0.67851 0.35702 0.96105 1.00000
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