ZnCo2SiH8
Alexandria ALEXAlex-ID: agm007446499 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_225_spg143
ZnCo2Si Zn3(CoH)2 Co3SiH SiH20
2024-02-09 06:45:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007446499).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007446499
data_agm007446499
_cell_length_a 4.21722
_cell_length_b 4.30641
_cell_length_c 5.52125
_cell_angle_alpha 83.84793
_cell_angle_beta 90.53457
_cell_angle_gamma 118.62960
_cell_volume 87.40359
_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
Zn1 Zn 0.08813 0.70600 0.13322 1.00000
Co1 Co 0.56162 0.60285 0.88273 1.00000
Co2 Co 0.09741 0.66065 0.58378 1.00000
Si1 Si 0.57560 0.13264 0.71905 1.00000
H1 H 0.87044 0.84497 0.66624 1.00000
H2 H 0.27849 0.41943 0.09096 1.00000
H3 H 0.60197 0.30938 0.03570 1.00000
H4 H 0.22774 0.38325 0.71328 1.00000
H5 H 0.10660 0.96312 0.41076 1.00000
H6 H 0.38961 0.70388 0.41497 1.00000
H7 H 0.82765 0.34023 0.44574 1.00000
H8 H 0.79786 0.91433 0.02764 1.00000
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