PmCo2TeO6
Alexandria ALEXAlex-ID: agm004949802 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_759_spg155
Co3O4 Co2Te3O8 Pm6TeO12 CoO
2022-07-29 13:55:54.418786
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004949802).
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 agm004949802
data_agm004949802
_cell_length_a 5.59185
_cell_length_b 5.59331
_cell_length_c 5.37839
_cell_angle_alpha 58.64611
_cell_angle_beta 58.67591
_cell_angle_gamma 59.92521
_cell_volume 116.42161
_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
Pm1 Pm 0.75939 0.76058 0.72009 1.00000
Co1 Co 0.51973 0.51942 0.44134 1.00000
Co2 Co 0.01692 0.01714 0.94914 1.00000
Te1 Te 0.30230 0.30293 0.09182 1.00000
O1 O 0.66140 0.28727 0.19700 1.00000
O2 O 0.28871 0.85474 0.19543 1.00000
O3 O 0.85474 0.66071 0.19583 1.00000
O4 O 0.36177 0.70554 0.74158 1.00000
O5 O 0.70560 0.19100 0.74166 1.00000
O6 O 0.19104 0.36226 0.74132 1.00000
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