Ce2(PmTe2)3
Alexandria ALEXAlex-ID: agm005604964 · 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
A2B3C6_239_spg12
Ce3(PmTe2)4 Ce3Te4 Pm5Te6
2023-06-13 00:47:21.069624
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604964).
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 agm005604964
data_agm005604964
_cell_length_a 7.70736
_cell_length_b 7.70850
_cell_length_c 7.74242
_cell_angle_alpha 80.38206
_cell_angle_beta 70.47584
_cell_angle_gamma 60.00490
_cell_volume 375.47927
_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
Ce1 Ce 0.16539 0.66921 0.50000 1.00000
Ce2 Ce 0.83461 0.33079 0.50000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.33160 0.33680 0.00000 1.00000
Pm3 Pm 0.66840 0.66320 1.00000 1.00000
Te1 Te 0.41861 0.67500 0.74548 1.00000
Te2 Te 0.74222 1.00000 0.74696 1.00000
Te3 Te 0.09360 0.32500 0.74548 1.00000
Te4 Te 0.25778 0.00000 0.25304 1.00000
Te5 Te 0.58139 0.32500 0.25452 1.00000
Te6 Te 0.90640 0.67500 0.25452 1.00000
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