Na3Tb2TmTe6
Alexandria ALEXAlex-ID: agm017671860 · 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
NaTbTe2 NaTmTe2
2024-11-02 02:47:00.423731
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017671860).
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 agm017671860
data_agm017671860
_cell_length_a 10.14542
_cell_length_b 10.14542
_cell_length_c 9.13206
_cell_angle_alpha 74.50357
_cell_angle_beta 74.50357
_cell_angle_gamma 25.18265
_cell_volume 384.67815
_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 0.50000 0.00000 1.00000
Na2 Na 0.16720 0.16720 0.66530 1.00000
Na3 Na 0.83280 0.83280 0.33470 1.00000
Tb1 Tb 0.16616 0.16616 0.16689 1.00000
Tb2 Tb 0.83384 0.83384 0.83311 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.66120 0.66120 0.40859 1.00000
Te2 Te 0.32962 0.32962 0.07479 1.00000
Te3 Te 0.33880 0.33880 0.59141 1.00000
Te4 Te 0.99692 0.99692 0.73599 1.00000
Te5 Te 0.00308 0.00308 0.26401 1.00000
Te6 Te 0.67038 0.67038 0.92521 1.00000
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