NaLa3(PrTe3)2
Alexandria ALEXAlex-ID: agm004613541 · 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
AB2C3D6_28_spg12
NaPr3Te4 La3PrTe4 NaLa3Te4
2022-06-28 02:19:16.511096
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004613541).
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 agm004613541
data_agm004613541
_cell_length_a 4.56557
_cell_length_b 9.11543
_cell_length_c 10.19555
_cell_angle_alpha 102.25777
_cell_angle_beta 102.93821
_cell_angle_gamma 90.00000
_cell_volume 403.60587
_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
Na1 Na 0.50000 0.00000 0.00000 1.00000
La1 La 0.50000 0.50000 0.00000 1.00000
La2 La 0.83481 0.16851 0.66962 1.00000
La3 La 0.16519 0.83149 0.33038 1.00000
Pr1 Pr 0.82990 0.65671 0.65980 1.00000
Pr2 Pr 0.17010 0.34329 0.34020 1.00000
Te1 Te 0.33403 0.91358 0.66806 1.00000
Te2 Te 0.66523 0.58513 0.33046 1.00000
Te3 Te 0.66597 0.08642 0.33194 1.00000
Te4 Te 0.00246 0.24747 0.00493 1.00000
Te5 Te 0.99754 0.75253 0.99507 1.00000
Te6 Te 0.33477 0.41487 0.66954 1.00000
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