Ca3Pm3Pt4
Alexandria ALEXAlex-ID: agm005684353 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C4_6_spg38
Pm5Pt3 Ca5Pt2 PmPt
2023-06-29 08:06:12.346106
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684353).
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 agm005684353
data_agm005684353
_cell_length_a 4.04907
_cell_length_b 7.90763
_cell_length_c 7.90763
_cell_angle_alpha 90.89850
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 253.15918
_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
Ca1 Ca 0.00000 0.49452 0.99717 1.00000
Ca2 Ca 0.00000 0.00283 0.50548 1.00000
Ca3 Ca 0.50000 0.16022 0.83978 1.00000
Pm1 Pm 0.50000 0.84306 0.15694 1.00000
Pm2 Pm 0.50000 0.34060 0.34033 1.00000
Pm3 Pm 0.50000 0.65967 0.65940 1.00000
Pt1 Pt 0.00000 0.63995 0.36005 1.00000
Pt2 Pt 0.00000 0.37095 0.62905 1.00000
Pt3 Pt 0.00000 0.85584 0.86764 1.00000
Pt4 Pt 0.00000 0.13236 0.14416 1.00000
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