Ce3Tl7Os4
Alexandria ALEXAlex-ID: agm008508102 · 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
A3B4C7_8_spg12
CeTl3 Os CeOs2
2024-05-28 17:36:57.054347
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008508102).
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 agm008508102
data_agm008508102
_cell_length_a 9.18756
_cell_length_b 9.18756
_cell_length_c 11.64699
_cell_angle_alpha 59.70269
_cell_angle_beta 59.70269
_cell_angle_gamma 23.44675
_cell_volume 335.26646
_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 0.27410 0.27410 0.23818 1.00000
Ce2 Ce 0.72590 0.72590 0.76182 1.00000
Ce3 Ce 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.32526 0.32526 0.49180 1.00000
Tl2 Tl 0.49733 0.49733 0.76756 1.00000
Tl3 Tl 0.83513 0.83513 0.92684 1.00000
Tl4 Tl 0.67474 0.67474 0.50820 1.00000
Tl5 Tl 0.16487 0.16487 0.07316 1.00000
Tl6 Tl 0.00000 0.00000 0.00000 1.00000
Tl7 Tl 0.50267 0.50267 0.23244 1.00000
Os1 Os 0.62402 0.62402 0.31753 1.00000
Os2 Os 0.37598 0.37598 0.68247 1.00000
Os3 Os 0.87097 0.87097 0.27101 1.00000
Os4 Os 0.12903 0.12903 0.72899 1.00000
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