Tm2Th2Pt3
Alexandria ALEXAlex-ID: agm005554751 · 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
A2B2C3_563_spg12
TmThPt2 Th7Pt3 Tm2Pt
2023-06-10 01:34:41.160282
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005554751).
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 agm005554751
data_agm005554751
_cell_length_a 4.14820
_cell_length_b 8.87865
_cell_length_c 10.29469
_cell_angle_alpha 83.27377
_cell_angle_beta 78.37691
_cell_angle_gamma 76.49057
_cell_volume 360.12894
_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
Tm1 Tm 0.01435 0.32597 0.64532 1.00000
Tm2 Tm 0.98565 0.67403 0.35468 1.00000
Tm3 Tm 0.29523 0.62549 0.78405 1.00000
Tm4 Tm 0.70477 0.37451 0.21595 1.00000
Th1 Th 0.30080 0.05852 0.33989 1.00000
Th2 Th 0.69920 0.94148 0.66011 1.00000
Th3 Th 0.41889 0.21545 0.94678 1.00000
Th4 Th 0.58111 0.78455 0.05322 1.00000
Pt1 Pt 0.08493 0.97245 0.85770 1.00000
Pt2 Pt 0.91507 0.02755 0.14230 1.00000
Pt3 Pt 0.18090 0.54189 0.09631 1.00000
Pt4 Pt 0.81910 0.45811 0.90369 1.00000
Pt5 Pt 0.35660 0.77153 0.51528 1.00000
Pt6 Pt 0.64340 0.22847 0.48472 1.00000
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