Y(Pa2C)4
Alexandria ALEXAlex-ID: agm097342180 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_841_spg6
Pa6C5 Y Pa
2025-06-20 20:36:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097342180).
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 agm097342180
data_agm097342180
_cell_length_a 3.39700
_cell_length_b 8.86616
_cell_length_c 9.25449
_cell_angle_alpha 72.72666
_cell_angle_beta 89.99544
_cell_angle_gamma 89.99703
_cell_volume 266.15891
_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
Y1 Y 0.69231 0.02945 0.97727 1.00000
Pa1 Pa 0.19225 0.18910 0.21141 1.00000
Pa2 Pa 0.19235 0.67397 0.12178 1.00000
Pa3 Pa 0.19246 0.46438 0.67393 1.00000
Pa4 Pa 0.19216 0.04572 0.59722 1.00000
Pa5 Pa 0.69232 0.81482 0.38161 1.00000
Pa6 Pa 0.69237 0.39185 0.40097 1.00000
Pa7 Pa 0.69228 0.40748 0.00479 1.00000
Pa8 Pa 0.69225 0.77650 0.76420 1.00000
C1 C 0.19233 0.92505 0.18321 1.00000
C2 C 0.19230 0.58982 0.87599 1.00000
C3 C 0.19241 0.59326 0.40620 1.00000
C4 C 0.69221 0.09860 0.40142 1.00000
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