Ca3PtC4
Alexandria ALEXAlex-ID: agm002258317 · 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
AB3C4_2_spg12
Ca5Pt2 C CaC6
2018-09-17 08:45:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002258317).
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 agm002258317
data_agm002258317
_cell_length_a 3.78147
_cell_length_b 4.23266
_cell_length_c 9.18427
_cell_angle_alpha 110.06230
_cell_angle_beta 101.78986
_cell_angle_gamma 89.96421
_cell_volume 134.78114
_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 0.67846 0.14076 0.35630 1.00000
Ca2 Ca 0.32154 0.85924 0.64370 1.00000
Ca3 Ca 0.50000 0.50000 0.00000 1.00000
C1 C 0.10352 0.37733 0.20723 1.00000
C2 C 0.89648 0.62267 0.79277 1.00000
C3 C 0.17467 0.60425 0.34934 1.00000
C4 C 0.82533 0.39575 0.65066 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
获取直接链接