VTeRu
Alexandria ALEXAlex-ID: agm002030331 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7232_spg2
Te2Ru V2Ru
2021-11-19 00:04:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002030331).
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 agm002030331
data_agm002030331
_cell_length_a 3.73254
_cell_length_b 5.46497
_cell_length_c 6.29007
_cell_angle_alpha 66.46670
_cell_angle_beta 77.06149
_cell_angle_gamma 79.04599
_cell_volume 113.91911
_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
Ru1 Ru 0.06309 0.24105 0.46761 1.00000
Ru2 Ru 0.93691 0.75895 0.53239 1.00000
Te1 Te 0.21662 0.29858 0.84801 1.00000
Te2 Te 0.78338 0.70142 0.15199 1.00000
V1 V 0.58067 0.19214 0.24009 1.00000
V2 V 0.41933 0.80786 0.75991 1.00000
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