Y3H2C
Alexandria ALEXAlex-ID: agm007377210 · 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
AB2C3_5692_spg12
YH2 Y2C
2024-05-03 22:56:56.300164
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007377210).
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 agm007377210
data_agm007377210
_cell_length_a 6.20283
_cell_length_b 6.20283
_cell_length_c 6.17108
_cell_angle_alpha 79.99799
_cell_angle_beta 79.99799
_cell_angle_gamma 119.95709
_cell_volume 192.91918
_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 0.42404 0.07891 0.76455 1.00000
Y2 Y 0.26482 0.26482 0.24877 1.00000
Y3 Y 0.57596 0.92109 0.23545 1.00000
Y4 Y 0.92109 0.57596 0.23545 1.00000
Y5 Y 0.07891 0.42404 0.76455 1.00000
Y6 Y 0.73518 0.73518 0.75123 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
H2 H 0.50000 0.50000 0.50000 1.00000
H3 H 0.17110 0.82890 0.50000 1.00000
H4 H 0.82890 0.17110 0.50000 1.00000
C1 C 0.66491 0.33509 0.00000 1.00000
C2 C 0.33509 0.66491 0.00000 1.00000
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