PrNdTlH
Alexandria ALEXAlex-ID: agm005196347 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_110_spg8
Nd2TlH2 Pr5Tl3 Pr
2022-07-10 12:49:46.894649
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005196347).
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 agm005196347
data_agm005196347
_cell_length_a 3.94702
_cell_length_b 4.06640
_cell_length_c 6.80235
_cell_angle_alpha 107.38842
_cell_angle_beta 106.86526
_cell_angle_gamma 90.00000
_cell_volume 99.25792
_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
Pr1 Pr 0.66937 0.12752 0.33874 1.00000
Nd1 Nd 0.97073 0.42907 0.94146 1.00000
Tl1 Tl 0.32335 0.78174 0.64669 1.00000
H1 H 0.57140 0.52954 0.14281 1.00000
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