TmUF7
Alexandria ALEXAlex-ID: agm024110871 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
TmU3F15 TmF3
2025-01-19 11:10:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024110871).
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 agm024110871
data_agm024110871
_cell_length_a 6.16298
_cell_length_b 6.07276
_cell_length_c 8.48236
_cell_angle_alpha 90.00000
_cell_angle_beta 102.02894
_cell_angle_gamma 90.00000
_cell_volume 310.49247
_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 0.81469 0.29566 0.72822 1.00000
Tm2 Tm 0.18531 0.79566 0.27178 1.00000
U1 U 0.65952 0.29737 0.19495 1.00000
U2 U 0.34048 0.79737 0.80505 1.00000
F1 F 0.48634 0.06701 0.99409 1.00000
F2 F 0.51366 0.56701 0.00591 1.00000
F3 F 0.91704 0.56037 0.25680 1.00000
F4 F 0.08296 0.06037 0.74320 1.00000
F5 F 0.91709 0.03285 0.25162 1.00000
F6 F 0.08291 0.53285 0.74838 1.00000
F7 F 0.42955 0.05077 0.28911 1.00000
F8 F 0.57045 0.55077 0.71089 1.00000
F9 F 0.77191 0.29711 0.47199 1.00000
F10 F 0.22809 0.79711 0.52801 1.00000
F11 F 0.85627 0.29773 0.98515 1.00000
F12 F 0.14373 0.79773 0.01485 1.00000
F13 F 0.41274 0.52438 0.28587 1.00000
F14 F 0.58726 0.02438 0.71413 1.00000
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