Gd(IO3)3
Alexandria ALEXAlex-ID: agm005237757 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C9_20_spg14
Gd(IO3)3
2022-12-16 13:04:29.736151
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237757).
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 agm005237757
data_agm005237757
_cell_length_a 6.16880
_cell_length_b 8.86213
_cell_length_c 16.84518
_cell_angle_alpha 65.45870
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 837.71227
_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
Gd1 Gd 0.21343 0.35312 0.60430 1.00000
Gd2 Gd 0.71343 0.64688 0.89570 1.00000
Gd3 Gd 0.78657 0.64688 0.39570 1.00000
Gd4 Gd 0.28657 0.35312 0.10430 1.00000
I1 I 0.85623 0.14317 0.52002 1.00000
I2 I 0.35623 0.85683 0.97998 1.00000
I3 I 0.14377 0.85683 0.47998 1.00000
I4 I 0.64377 0.14317 0.02002 1.00000
I5 I 0.90431 0.08333 0.80253 1.00000
I6 I 0.40431 0.91667 0.69747 1.00000
I7 I 0.09569 0.91667 0.19747 1.00000
I8 I 0.59569 0.08333 0.30253 1.00000
I9 I 0.68706 0.57255 0.64255 1.00000
I10 I 0.18706 0.42745 0.85745 1.00000
I11 I 0.31294 0.42745 0.35745 1.00000
I12 I 0.81294 0.57255 0.14255 1.00000
O1 O 0.02302 0.10726 0.61695 1.00000
O2 O 0.52302 0.89274 0.88305 1.00000
O3 O 0.97698 0.89274 0.38305 1.00000
O4 O 0.47698 0.10726 0.11695 1.00000
O5 O 0.12244 0.62888 0.51517 1.00000
O6 O 0.62244 0.37112 0.98483 1.00000
O7 O 0.87756 0.37112 0.48483 1.00000
O8 O 0.37756 0.62888 0.01517 1.00000
O9 O 0.07353 0.14358 0.44266 1.00000
O10 O 0.57353 0.85642 0.05734 1.00000
O11 O 0.92647 0.85642 0.55734 1.00000
O12 O 0.42647 0.14358 0.94266 1.00000
O13 O 0.17358 0.15582 0.75578 1.00000
O14 O 0.67358 0.84418 0.74422 1.00000
O15 O 0.82642 0.84418 0.24422 1.00000
O16 O 0.32642 0.15582 0.25578 1.00000
O17 O 0.91439 0.16326 0.88718 1.00000
O18 O 0.41439 0.83674 0.61282 1.00000
O19 O 0.08561 0.83674 0.11282 1.00000
O20 O 0.58561 0.16326 0.38718 1.00000
O21 O 0.98587 0.86615 0.86651 1.00000
O22 O 0.48587 0.13385 0.63349 1.00000
O23 O 0.01413 0.13385 0.13349 1.00000
O24 O 0.51413 0.86615 0.36651 1.00000
O25 O 0.44745 0.44114 0.68838 1.00000
O26 O 0.94745 0.55886 0.81162 1.00000
O27 O 0.55255 0.55886 0.31162 1.00000
O28 O 0.05255 0.44114 0.18838 1.00000
O29 O 0.62593 0.61301 0.52965 1.00000
O30 O 0.12593 0.38699 0.97035 1.00000
O31 O 0.37407 0.38699 0.47035 1.00000
O32 O 0.87407 0.61301 0.02965 1.00000
O33 O 0.89096 0.40499 0.66989 1.00000
O34 O 0.39096 0.59501 0.83011 1.00000
O35 O 0.10904 0.59501 0.33011 1.00000
O36 O 0.60904 0.40499 0.16989 1.00000
