Tb8ZnC4
Alexandria ALEXAlex-ID: agm098024309 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1595_spg1
TbZn Tb4C5 Tb2C
2025-06-12 13:09:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098024309).
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 agm098024309
data_agm098024309
_cell_length_a 3.60804
_cell_length_b 10.17684
_cell_length_c 9.63624
_cell_angle_alpha 124.29794
_cell_angle_beta 90.80250
_cell_angle_gamma 87.61510
_cell_volume 292.03106
_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
Tb1 Tb 0.04537 0.60183 0.12108 1.00000
Tb2 Tb 0.29564 0.18289 0.04262 1.00000
Tb3 Tb 0.30697 0.44624 0.64002 1.00000
Tb4 Tb 0.31014 0.92545 0.59946 1.00000
Tb5 Tb 0.82311 0.08794 0.38187 1.00000
Tb6 Tb 0.78748 0.52613 0.38927 1.00000
Tb7 Tb 0.82315 0.80008 0.81183 1.00000
Tb8 Tb 0.76905 0.27269 0.80516 1.00000
Zn1 Zn 0.38285 0.83772 0.09138 1.00000
C1 C 0.79833 0.04230 0.82021 1.00000
C2 C 0.53255 0.43406 0.10893 1.00000
C3 C 0.31651 0.66576 0.59964 1.00000
C4 C 0.30884 0.17691 0.58852 1.00000
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