CaCe2(ZnGe)2
Alexandria ALEXAlex-ID: agm004546342 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_139_spg166
CeZnGe Ce5Ge4 Ce2Zn5Ge Ca2Ge
2022-06-22 00:30:14.948023
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004546342).
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 agm004546342
data_agm004546342
_cell_length_a 4.32239
_cell_length_b 4.32239
_cell_length_c 9.76022
_cell_angle_alpha 77.20702
_cell_angle_beta 77.20702
_cell_angle_gamma 60.00000
_cell_volume 152.67115
_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 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.14237 0.14237 0.57288 1.00000
Ce2 Ce 0.85763 0.85763 0.42712 1.00000
Zn1 Zn 0.59118 0.59118 0.22647 1.00000
Zn2 Zn 0.40882 0.40882 0.77353 1.00000
Ge1 Ge 0.73737 0.73737 0.78790 1.00000
Ge2 Ge 0.26263 0.26263 0.21210 1.00000
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