Na2UInTe5
Alexandria ALEXAlex-ID: agm005160504 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_224_spg36
UTe3 Na2UTe3 NaInTe2
2023-01-16 12:24:50.786901
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005160504).
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 agm005160504
data_agm005160504
_cell_length_a 4.44139
_cell_length_b 9.95997
_cell_length_c 15.08219
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.88306
_cell_volume 650.38214
_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 0.90835 0.81671 0.84856 1.00000
Na2 Na 0.09592 0.19184 0.66002 1.00000
Na3 Na 0.09165 0.18329 0.34856 1.00000
Na4 Na 0.90408 0.80816 0.16002 1.00000
U1 U 0.76888 0.53776 0.52780 1.00000
U2 U 0.23112 0.46224 0.02780 1.00000
In1 In 0.57925 0.15850 0.92309 1.00000
In2 In 0.42075 0.84150 0.42309 1.00000
Te1 Te 0.37790 0.75581 0.00516 1.00000
Te2 Te 0.72617 0.45234 0.88773 1.00000
Te3 Te 0.50803 0.01605 0.76688 1.00000
Te4 Te 0.27211 0.54422 0.65985 1.00000
Te5 Te 0.92909 0.85819 0.54489 1.00000
Te6 Te 0.62210 0.24419 0.50516 1.00000
Te7 Te 0.27383 0.54766 0.38773 1.00000
Te8 Te 0.49197 0.98395 0.26688 1.00000
Te9 Te 0.72789 0.45578 0.15985 1.00000
Te10 Te 0.07091 0.14181 0.04489 1.00000
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