Ac5Pt2RhAu
Alexandria ALEXAlex-ID: agm005151706 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_378_spg36
Ac4Pt3 Ac2PtAu Ac4Rh2Au
2023-01-19 13:54:13.278236
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005151706).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005151706
data_agm005151706
_cell_length_a 4.48236
_cell_length_b 9.30266
_cell_length_c 14.76557
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.94074
_cell_volume 597.55770
_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
Ac1 Ac 0.44382 0.88764 0.03958 1.00000
Ac2 Ac 0.77670 0.55340 0.92820 1.00000
Ac3 Ac 0.42882 0.85763 0.76647 1.00000
Ac4 Ac 0.18470 0.36940 0.71126 1.00000
Ac5 Ac 0.87736 0.75473 0.53516 1.00000
Ac6 Ac 0.55618 0.11236 0.53958 1.00000
Ac7 Ac 0.22330 0.44660 0.42820 1.00000
Ac8 Ac 0.57118 0.14237 0.26647 1.00000
Ac9 Ac 0.81530 0.63060 0.21126 1.00000
Ac10 Ac 0.12264 0.24527 0.03516 1.00000
Pt1 Pt 0.80907 0.61815 0.72933 1.00000
Pt2 Pt 0.01163 0.02325 0.66140 1.00000
Pt3 Pt 0.19093 0.38185 0.22933 1.00000
Pt4 Pt 0.98837 0.97675 0.16140 1.00000
Rh1 Rh 0.71568 0.43137 0.56654 1.00000
Rh2 Rh 0.28432 0.56863 0.06654 1.00000
Au1 Au 0.59346 0.18692 0.88603 1.00000
Au2 Au 0.40654 0.81308 0.38603 1.00000
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