Tb(IO3)3
Alexandria ALEXAlex-ID: agm005245221 · 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_56_spg14
Tb(IO3)3
2022-12-16 11:03:29.142775
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245221).
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 agm005245221
data_agm005245221
_cell_length_a 8.66856
_cell_length_b 7.24925
_cell_length_c 13.55422
_cell_angle_alpha 80.66927
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 840.48583
_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
Tb1 Tb 0.76376 0.33108 0.64379 1.00000
Tb2 Tb 0.26376 0.66892 0.85621 1.00000
Tb3 Tb 0.23624 0.66892 0.35621 1.00000
Tb4 Tb 0.73624 0.33108 0.14379 1.00000
I1 I 0.30428 0.33220 0.61091 1.00000
I2 I 0.80428 0.66780 0.88909 1.00000
I3 I 0.69572 0.66780 0.38909 1.00000
I4 I 0.19572 0.33220 0.11091 1.00000
I5 I 0.53305 0.24028 0.88604 1.00000
I6 I 0.03305 0.75972 0.61396 1.00000
I7 I 0.46695 0.75972 0.11396 1.00000
I8 I 0.96695 0.24028 0.38604 1.00000
I9 I 0.05399 0.16616 0.85295 1.00000
I10 I 0.55399 0.83384 0.64705 1.00000
I11 I 0.94601 0.83384 0.14705 1.00000
I12 I 0.44601 0.16616 0.35295 1.00000
O1 O 0.48470 0.35224 0.67938 1.00000
O2 O 0.98470 0.64776 0.82062 1.00000
O3 O 0.51530 0.64776 0.32062 1.00000
O4 O 0.01530 0.35224 0.17938 1.00000
O5 O 0.34638 0.13171 0.54915 1.00000
O6 O 0.84638 0.86829 0.95085 1.00000
O7 O 0.65362 0.86829 0.45085 1.00000
O8 O 0.15362 0.13171 0.04915 1.00000
O9 O 0.33170 0.52441 0.50751 1.00000
O10 O 0.83170 0.47559 0.99249 1.00000
O11 O 0.66830 0.47559 0.49249 1.00000
O12 O 0.16830 0.52441 0.00751 1.00000
O13 O 0.72064 0.28350 0.82162 1.00000
O14 O 0.22064 0.71650 0.67838 1.00000
O15 O 0.27936 0.71650 0.17838 1.00000
O16 O 0.77936 0.28350 0.32162 1.00000
O17 O 0.29478 0.34500 0.32289 1.00000
O18 O 0.79478 0.65500 0.17711 1.00000
O19 O 0.70522 0.65500 0.67711 1.00000
O20 O 0.20522 0.34500 0.82289 1.00000
O21 O 0.31901 0.96702 0.35620 1.00000
O22 O 0.81901 0.03298 0.14380 1.00000
O23 O 0.68099 0.03298 0.64380 1.00000
O24 O 0.18099 0.96702 0.85620 1.00000
O25 O 0.52269 0.16224 0.22727 1.00000
O26 O 0.02269 0.83776 0.27273 1.00000
O27 O 0.47731 0.83776 0.77273 1.00000
O28 O 0.97731 0.16224 0.72727 1.00000
O29 O 0.91101 0.18248 0.51661 1.00000
O30 O 0.41101 0.81752 0.98339 1.00000
O31 O 0.08899 0.81752 0.48339 1.00000
O32 O 0.58899 0.18248 0.01661 1.00000
O33 O 0.01821 0.48469 0.38572 1.00000
O34 O 0.51821 0.51531 0.11428 1.00000
O35 O 0.98179 0.51531 0.61428 1.00000
O36 O 0.48179 0.48469 0.88572 1.00000
