Ac4PmTm2
Alexandria ALEXAlex-ID: agm006042736 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2695_spg43
PmTm2 Ac
2023-10-20 02:08:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006042736).
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 agm006042736
data_agm006042736
_cell_length_a 7.17858
_cell_length_b 7.18061
_cell_length_c 13.18082
_cell_angle_alpha 96.93436
_cell_angle_beta 97.28227
_cell_angle_gamma 123.59367
_cell_volume 546.20155
_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
Ac1 Ac 0.51546 0.29384 0.71323 1.00000
Ac2 Ac 0.29408 0.51669 0.21320 1.00000
Ac3 Ac 0.16848 0.81393 0.85514 1.00000
Ac4 Ac 0.81337 0.16517 0.35493 1.00000
Ac5 Ac 0.02349 0.33962 0.63478 1.00000
Ac6 Ac 0.88920 0.68266 0.29167 1.00000
Ac7 Ac 0.68400 0.88830 0.79167 1.00000
Ac8 Ac 0.33894 0.02570 0.13487 1.00000
Pm1 Pm 0.40488 0.78477 0.50395 1.00000
Pm2 Pm 0.78543 0.40585 0.00366 1.00000
Tm1 Tm 0.38881 0.26122 0.43363 1.00000
Tm2 Tm 0.77405 0.92016 0.06936 1.00000
Tm3 Tm 0.92045 0.77643 0.56917 1.00000
Tm4 Tm 0.26061 0.38692 0.93366 1.00000
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