Nd2C2S
Alexandria ALEXAlex-ID: agm005874091 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1472_spg15
Nd2C3 Nd3CS2 C
2023-08-03 12:05:56.104620
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874091).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005874091
data_agm005874091
_cell_length_a 4.01854
_cell_length_b 6.98909
_cell_length_c 7.44690
_cell_angle_alpha 104.17387
_cell_angle_beta 105.65313
_cell_angle_gamma 90.00000
_cell_volume 194.77532
_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
Nd1 Nd 0.84815 0.15330 0.26491 1.00000
Nd2 Nd 0.41676 0.65330 0.26491 1.00000
Nd3 Nd 0.15185 0.84670 0.73509 1.00000
Nd4 Nd 0.58324 0.34670 0.73509 1.00000
C1 C 0.94123 0.46518 0.56090 1.00000
C2 C 0.38032 0.03482 0.43910 1.00000
C3 C 0.05877 0.53482 0.43910 1.00000
C4 C 0.61968 0.96518 0.56090 1.00000
S1 S 0.78150 0.75000 1.00000 1.00000
S2 S 0.21850 0.25000 0.00000 1.00000
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