Ca15Mg2Au5
Alexandria ALEXAlex-ID: agm007983045 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C15_2_spg160
Ca3Au Ca5Au2 CaMg2
2024-12-06 03:13:49.805036
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007983045).
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 agm007983045
data_agm007983045
_cell_length_a 16.24380
_cell_length_b 16.24380
_cell_length_c 16.24380
_cell_angle_alpha 37.36701
_cell_angle_beta 37.36701
_cell_angle_gamma 37.36701
_cell_volume 1415.55404
_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 0.31678 0.93852 0.31678 1.00000
Ca2 Ca 0.31678 0.31678 0.93852 1.00000
Ca3 Ca 0.93852 0.31678 0.31678 1.00000
Ca4 Ca 0.17308 0.78175 0.17308 1.00000
Ca5 Ca 0.17308 0.17308 0.78175 1.00000
Ca6 Ca 0.78175 0.17308 0.17308 1.00000
Ca7 Ca 0.32444 0.70128 0.32444 1.00000
Ca8 Ca 0.32444 0.32444 0.70128 1.00000
Ca9 Ca 0.70128 0.32444 0.32444 1.00000
Ca10 Ca 0.47264 0.85403 0.47264 1.00000
Ca11 Ca 0.47264 0.47264 0.85403 1.00000
Ca12 Ca 0.85403 0.47264 0.47264 1.00000
Ca13 Ca 0.79664 0.42002 0.79664 1.00000
Ca14 Ca 0.79664 0.79664 0.42002 1.00000
Ca15 Ca 0.42002 0.79664 0.79664 1.00000
Ca16 Ca 0.61153 0.99828 0.61153 1.00000
Ca17 Ca 0.61153 0.61153 0.99828 1.00000
Ca18 Ca 0.99828 0.61153 0.61153 1.00000
Ca19 Ca 0.75944 0.13703 0.75944 1.00000
Ca20 Ca 0.75944 0.75944 0.13703 1.00000
Ca21 Ca 0.13703 0.75944 0.75944 1.00000
Ca22 Ca 0.08808 0.69955 0.08808 1.00000
Ca23 Ca 0.08808 0.08808 0.69955 1.00000
Ca24 Ca 0.69955 0.08808 0.08808 1.00000
Ca25 Ca 0.93918 0.55896 0.93918 1.00000
Ca26 Ca 0.93918 0.93918 0.55896 1.00000
Ca27 Ca 0.55896 0.93918 0.93918 1.00000
Ca28 Ca 0.11469 0.11469 0.11469 1.00000
Ca29 Ca 0.26494 0.26494 0.26494 1.00000
Ca30 Ca 0.52422 0.52422 0.52422 1.00000
Mg1 Mg 0.43873 0.12504 0.43873 1.00000
Mg2 Mg 0.43873 0.43873 0.12504 1.00000
Mg3 Mg 0.12504 0.43873 0.43873 1.00000
Mg4 Mg 0.39041 0.39041 0.39041 1.00000
Au1 Au 0.63436 0.20104 0.63436 1.00000
Au2 Au 0.63436 0.63436 0.20104 1.00000
Au3 Au 0.20104 0.63436 0.63436 1.00000
Au4 Au 0.93587 0.37423 0.93587 1.00000
Au5 Au 0.93587 0.93587 0.37423 1.00000
Au6 Au 0.37423 0.93587 0.93587 1.00000
Au7 Au 0.08572 0.51917 0.08572 1.00000
Au8 Au 0.08572 0.08572 0.51917 1.00000
Au9 Au 0.51917 0.08572 0.08572 1.00000
Au10 Au 0.00023 0.00023 0.00023 1.00000
