Ce2YGeN5
Alexandria ALEXAlex-ID: agm005149249 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_219_spg36
Ce3N4 YN Ge3N4
2023-01-16 19:19:27.165471
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149249).
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 agm005149249
data_agm005149249
_cell_length_a 3.34227
_cell_length_b 8.12856
_cell_length_c 9.60257
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.86395
_cell_volume 255.30866
_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 0.88759 0.77518 0.79555 1.00000
Ce2 Ce 0.10342 0.20684 0.67643 1.00000
Ce3 Ce 0.11241 0.22482 0.29555 1.00000
Ce4 Ce 0.89658 0.79316 0.17643 1.00000
Y1 Y 0.78359 0.56717 0.50382 1.00000
Y2 Y 0.21641 0.43283 0.00382 1.00000
Ge1 Ge 0.55175 0.10350 0.95301 1.00000
Ge2 Ge 0.44825 0.89650 0.45301 1.00000
N1 N 0.36043 0.72086 0.01951 1.00000
N2 N 0.65885 0.31771 0.86047 1.00000
N3 N 0.49430 0.98861 0.78311 1.00000
N4 N 0.31137 0.62274 0.68200 1.00000
N5 N 0.96167 0.92334 0.55009 1.00000
N6 N 0.63957 0.27914 0.51951 1.00000
N7 N 0.34115 0.68229 0.36047 1.00000
N8 N 0.50570 0.01139 0.28311 1.00000
N9 N 0.68863 0.37726 0.18200 1.00000
N10 N 0.03833 0.07666 0.05009 1.00000
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