CoH10SeO9
Alexandria ALEXAlex-ID: agm005290300 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC9D10_1_spg2
CoH2SeO5 H2O
2023-05-30 05:21:41.309421
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290300).
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}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005290300
data_agm005290300
_cell_length_a 6.23351
_cell_length_b 6.33439
_cell_length_c 10.91806
_cell_angle_alpha 75.71134
_cell_angle_beta 81.47707
_cell_angle_gamma 70.96745
_cell_volume 393.84989
_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
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.00000 0.50000 0.50000 1.00000
H1 H 0.24140 0.27961 0.00353 1.00000
H2 H 0.75860 0.72039 0.99647 1.00000
H3 H 0.25324 0.10590 0.14016 1.00000
H4 H 0.74676 0.89410 0.85984 1.00000
H5 H 0.09337 0.67161 0.20684 1.00000
H6 H 0.90663 0.32839 0.79316 1.00000
H7 H 0.33531 0.65989 0.12983 1.00000
H8 H 0.66469 0.34011 0.87017 1.00000
H9 H 0.34281 0.68192 0.37067 1.00000
H10 H 0.65719 0.31808 0.62933 1.00000
H11 H 0.43532 0.40504 0.39261 1.00000
H12 H 0.56468 0.59496 0.60739 1.00000
H13 H 0.89437 0.19428 0.40483 1.00000
H14 H 0.10563 0.80572 0.59517 1.00000
H15 H 0.16718 0.13553 0.38149 1.00000
H16 H 0.83282 0.86447 0.61851 1.00000
H17 H 0.68520 0.39839 0.12565 1.00000
H18 H 0.31480 0.60161 0.87435 1.00000
H19 H 0.70850 0.57391 0.19902 1.00000
H20 H 0.29150 0.42609 0.80098 1.00000
Se1 Se 0.64391 0.98338 0.28763 1.00000
Se2 Se 0.35609 0.01662 0.71237 1.00000
O1 O 0.71599 0.10188 0.13794 1.00000
O2 O 0.28401 0.89812 0.86206 1.00000
O3 O 0.37886 0.96485 0.29333 1.00000
O4 O 0.62114 0.03515 0.70667 1.00000
O5 O 0.64796 0.14839 0.38478 1.00000
O6 O 0.35204 0.85161 0.61522 1.00000
O7 O 0.82133 0.71559 0.32552 1.00000
O8 O 0.17867 0.28441 0.67448 1.00000
O9 O 0.16204 0.18085 0.06598 1.00000
O10 O 0.83796 0.81915 0.93402 1.00000
O11 O 0.16920 0.69950 0.12144 1.00000
O12 O 0.83080 0.30050 0.87856 1.00000
O13 O 0.30052 0.53922 0.40083 1.00000
O14 O 0.69948 0.46078 0.59917 1.00000
O15 O 0.02820 0.23570 0.41882 1.00000
O16 O 0.97180 0.76430 0.58118 1.00000
O17 O 0.63781 0.56391 0.12681 1.00000
O18 O 0.36219 0.43609 0.87319 1.00000
