Er2Ta3C4
Alexandria ALEXAlex-ID: agm034440428 · 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
A2B3C4_235_spg12
Er2Ta3C4
2024-12-25 22:44:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034440428).
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 agm034440428
data_agm034440428
_cell_length_a 5.58877
_cell_length_b 5.58877
_cell_length_c 8.18390
_cell_angle_alpha 63.78659
_cell_angle_beta 116.21341
_cell_angle_gamma 146.55598
_cell_volume 124.99808
_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
Er1 Er 0.59770 0.40230 0.39446 1.00000
Er2 Er 0.40230 0.59770 0.60554 1.00000
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Ta2 Ta 0.21619 0.78381 0.82439 1.00000
Ta3 Ta 0.78381 0.21619 0.17561 1.00000
C1 C 0.80015 0.19985 0.71860 1.00000
C2 C 0.19985 0.80015 0.28140 1.00000
C3 C 0.39327 0.60673 0.08874 1.00000
C4 C 0.60673 0.39327 0.91126 1.00000
