Er2Tm3ZrP6
Alexandria ALEXAlex-ID: agm034297478 · 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
AB2C3D6_201_spg12
ErTmP2 ErTm2ZrP4
2024-11-08 17:37:33.463768
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034297478).
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 agm034297478
data_agm034297478
_cell_length_a 8.74098
_cell_length_b 8.74098
_cell_length_c 7.84560
_cell_angle_alpha 77.02138
_cell_angle_beta 77.02138
_cell_angle_gamma 25.84123
_cell_volume 254.25271
_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
Er1 Er 0.83266 0.83266 0.83376 1.00000
Er2 Er 0.16734 0.16734 0.16624 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.16626 0.16626 0.66648 1.00000
Tm3 Tm 0.83374 0.83374 0.33352 1.00000
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
P1 P 0.66276 0.66276 0.91773 1.00000
P2 P 0.66642 0.66642 0.41714 1.00000
P3 P 0.33724 0.33724 0.08227 1.00000
P4 P 0.00019 0.00019 0.24140 1.00000
P5 P 0.99981 0.99981 0.75860 1.00000
P6 P 0.33358 0.33358 0.58286 1.00000
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