Ce2VGeN5
Alexandria ALEXAlex-ID: agm005149642 · 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_210_spg36
Ce3(VN3)2 Ce3N4 Ge3N4
2023-01-17 00:34:05.637330
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149642).
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
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# CIF generated by HEAS from Alexandria entry agm005149642
data_agm005149642
_cell_length_a 3.21837
_cell_length_b 7.09992
_cell_length_c 9.96121
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.09982
_cell_volume 221.69195
_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 0.86163 0.72327 0.79399 1.00000
Ce2 Ce 0.11687 0.23374 0.68997 1.00000
Ce3 Ce 0.13837 0.27673 0.29399 1.00000
Ce4 Ce 0.88313 0.76626 0.18997 1.00000
V1 V 0.77781 0.55563 0.51372 1.00000
V2 V 0.22219 0.44437 0.01372 1.00000
Ge1 Ge 0.55203 0.10406 0.95556 1.00000
Ge2 Ge 0.44797 0.89594 0.45556 1.00000
N1 N 0.35045 0.70090 0.00394 1.00000
N2 N 0.68598 0.37196 0.87913 1.00000
N3 N 0.49522 0.99043 0.78732 1.00000
N4 N 0.28582 0.57163 0.64706 1.00000
N5 N 0.95166 0.90332 0.55327 1.00000
N6 N 0.64955 0.29910 0.50394 1.00000
N7 N 0.31402 0.62804 0.37913 1.00000
N8 N 0.50478 0.00957 0.28732 1.00000
N9 N 0.71418 0.42837 0.14706 1.00000
N10 N 0.04834 0.09668 0.05327 1.00000
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