Tm4CdTe2
Alexandria ALEXAlex-ID: agm003458396 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_191_spg122
Tm3Te2 Tm3Cd2 TmTe
2022-02-16 11:23:42.772384
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458396).
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 agm003458396
data_agm003458396
_cell_length_a 8.15326
_cell_length_b 8.15324
_cell_length_c 8.13853
_cell_angle_alpha 108.98785
_cell_angle_beta 108.98081
_cell_angle_gamma 110.52124
_cell_volume 416.00469
_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 0.94588 0.25395 0.30715 1.00000
Tm2 Tm 0.30434 0.49605 0.19306 1.00000
Tm3 Tm 0.94680 0.63873 0.69284 1.00000
Tm4 Tm 0.74601 0.05410 0.69284 1.00000
Tm5 Tm 0.36126 0.05317 0.30717 1.00000
Tm6 Tm 0.30300 0.11128 0.80695 1.00000
Tm7 Tm 0.50397 0.69568 0.80695 1.00000
Tm8 Tm 0.88872 0.69702 0.19304 1.00000
Cd1 Cd 0.24985 0.74985 0.50000 1.00000
Cd2 Cd 0.00017 0.00016 0.00000 1.00000
Te1 Te 0.62511 0.37501 0.75011 1.00000
Te2 Te 0.62490 0.87500 0.24989 1.00000
Te3 Te 0.62500 0.37488 0.24989 1.00000
Te4 Te 0.12499 0.37511 0.75011 1.00000
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