Ca2SnGeN
Alexandria ALEXAlex-ID: agm002223902 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_28_spg11
CaSn Ca2SnGe2 Ca2GeN2 CaSn3
2018-07-12 16:05:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002223902).
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 agm002223902
data_agm002223902
_cell_length_a 3.74162
_cell_length_b 7.20046
_cell_length_c 8.71005
_cell_angle_alpha 107.22820
_cell_angle_beta 90.00003
_cell_angle_gamma 89.99997
_cell_volume 224.13217
_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
Ge1 Ge 0.25000 0.24294 0.64735 1.00000
Ge2 Ge 0.75000 0.75706 0.35265 1.00000
Ca1 Ca 0.75000 0.14822 0.93772 1.00000
Ca2 Ca 0.25000 0.77445 0.64607 1.00000
Ca3 Ca 0.75000 0.22555 0.35393 1.00000
Ca4 Ca 0.25000 0.85178 0.06228 1.00000
Sn1 Sn 0.75000 0.50402 0.82511 1.00000
Sn2 Sn 0.25000 0.49598 0.17489 1.00000
N1 N 0.75000 0.80970 0.85030 1.00000
N2 N 0.25000 0.19030 0.14970 1.00000
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