Ce2Zn2Tc2C
Alexandria ALEXAlex-ID: agm004555152 · 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
AB2C2D2_51_spg12
Ce2Tc2C3 Ce2Zn3Tc Tc
2022-06-22 01:36:31.303434
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004555152).
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 agm004555152
data_agm004555152
_cell_length_a 3.51454
_cell_length_b 5.88206
_cell_length_c 6.42018
_cell_angle_alpha 76.07516
_cell_angle_beta 90.00546
_cell_angle_gamma 72.62078
_cell_volume 122.56947
_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
Ce1 Ce 0.49381 0.01239 0.71805 1.00000
Ce2 Ce 0.50619 0.98761 0.28195 1.00000
Zn1 Zn 0.79792 0.40437 0.38155 1.00000
Zn2 Zn 0.20208 0.59563 0.61845 1.00000
Tc1 Tc 0.81718 0.36561 0.92864 1.00000
Tc2 Tc 0.18282 0.63439 0.07136 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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