HoTmAs2
Alexandria ALEXAlex-ID: agm080601825 · 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
ABC2_12880_spg1
HoTmAs2
2025-02-22 16:42:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080601825).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm080601825
data_agm080601825
_cell_length_a 9.12456
_cell_length_b 10.80363
_cell_length_c 12.22981
_cell_angle_alpha 104.59699
_cell_angle_beta 98.50359
_cell_angle_gamma 90.03767
_cell_volume 1152.94917
_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
Ho1 Ho 0.91679 0.83329 0.33337 1.00000
Ho2 Ho 0.58327 0.50016 0.66661 1.00000
Ho3 Ho 0.08317 0.50017 0.16650 1.00000
Ho4 Ho 0.24991 0.16667 0.00009 1.00000
Ho5 Ho 0.00055 0.16682 0.24979 1.00000
Ho6 Ho 0.83268 0.49979 0.41690 1.00000
Ho7 Ho 0.41676 0.83322 0.83337 1.00000
Ho8 Ho 0.75011 0.16653 0.50008 1.00000
Ho9 Ho 0.49958 0.16635 0.75026 1.00000
Ho10 Ho 0.41653 0.33344 0.33297 1.00000
Ho11 Ho 0.08407 0.00012 0.66721 1.00000
Ho12 Ho 0.74986 0.66678 0.99958 1.00000
Tm1 Tm 0.00023 0.66666 0.75006 1.00000
Tm2 Tm 0.58350 0.99919 0.16669 1.00000
Tm3 Tm 0.16626 0.83280 0.08349 1.00000
Tm4 Tm 0.33355 0.50052 0.91643 1.00000
Tm5 Tm 0.49975 0.66680 0.24994 1.00000
Tm6 Tm 0.16676 0.33351 0.58355 1.00000
Tm7 Tm 0.91625 0.33355 0.83346 1.00000
Tm8 Tm 0.66736 0.83371 0.58312 1.00000
Tm9 Tm 0.33357 0.99975 0.41655 1.00000
Tm10 Tm 0.66636 0.33329 0.08322 1.00000
Tm11 Tm 0.83333 0.00001 0.91670 1.00000
Tm12 Tm 0.24977 0.66688 0.50008 1.00000
As1 As 0.45701 0.24942 0.54138 1.00000
As2 As 0.95866 0.74978 0.54241 1.00000
As3 As 0.04246 0.58325 0.95739 1.00000
As4 As 0.45731 0.74995 0.04241 1.00000
As5 As 0.70774 0.24905 0.29044 1.00000
As6 As 0.54076 0.58500 0.45825 1.00000
As7 As 0.79196 0.08320 0.70915 1.00000
As8 As 0.04329 0.08389 0.45870 1.00000
As9 As 0.54306 0.08338 0.95953 1.00000
As10 As 0.20755 0.25173 0.79186 1.00000
As11 As 0.20955 0.75046 0.29199 1.00000
As12 As 0.70965 0.75096 0.79097 1.00000
As13 As 0.37597 0.41767 0.12432 1.00000
As14 As 0.12393 0.91575 0.87573 1.00000
As15 As 0.87642 0.41690 0.62613 1.00000
As16 As 0.62390 0.91605 0.37470 1.00000
As17 As 0.62490 0.41640 0.87554 1.00000
As18 As 0.29253 0.08160 0.20830 1.00000
As19 As 0.87493 0.91686 0.12435 1.00000
As20 As 0.29043 0.58294 0.70798 1.00000
As21 As 0.79010 0.58280 0.20801 1.00000
As22 As 0.12541 0.41747 0.37613 1.00000
As23 As 0.37581 0.91564 0.62375 1.00000
As24 As 0.95670 0.24987 0.04062 1.00000
