Tm2Ga2Re2C
Alexandria ALEXAlex-ID: agm024977034 · 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
AB2C2D2_13_spg12
Tm2Ga2Re2C
2024-11-01 16:05:51.935935
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024977034).
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 agm024977034
data_agm024977034
_cell_length_a 5.76500
_cell_length_b 5.76500
_cell_length_c 7.19198
_cell_angle_alpha 58.47434
_cell_angle_beta 58.47434
_cell_angle_gamma 37.93037
_cell_volume 122.43025
_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 0.56870 0.56870 0.71568 1.00000
Tm2 Tm 0.43130 0.43130 0.28432 1.00000
Ga1 Ga 0.13536 0.13536 0.34927 1.00000
Ga2 Ga 0.86464 0.86464 0.65073 1.00000
Re1 Re 0.20247 0.20247 0.93001 1.00000
Re2 Re 0.79753 0.79753 0.06999 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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