MgH10SeO9
Alexandria ALEXAlex-ID: agm006789433 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC9D10_1_spg2
MgH2SeO5 H2O
2024-01-27 09:00:14.114594
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006789433).
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 agm006789433
data_agm006789433
_cell_length_a 6.24321
_cell_length_b 6.38803
_cell_length_c 10.87385
_cell_angle_alpha 75.62153
_cell_angle_beta 81.65356
_cell_angle_gamma 70.59586
_cell_volume 395.29095
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.00000 0.50000 0.50000 1.00000
H1 H 0.73871 0.89017 0.86394 1.00000
H2 H 0.26129 0.10983 0.13606 1.00000
H3 H 0.75990 0.71336 0.99946 1.00000
H4 H 0.24010 0.28664 0.00054 1.00000
H5 H 0.65915 0.34253 0.86946 1.00000
H6 H 0.34085 0.65747 0.13054 1.00000
H7 H 0.89855 0.33110 0.79228 1.00000
H8 H 0.10145 0.66890 0.20772 1.00000
H9 H 0.65539 0.32038 0.62868 1.00000
H10 H 0.34461 0.67962 0.37132 1.00000
H11 H 0.56482 0.59329 0.60747 1.00000
H12 H 0.43518 0.40671 0.39253 1.00000
H13 H 0.83290 0.85879 0.62382 1.00000
H14 H 0.16710 0.14121 0.37618 1.00000
H15 H 0.10148 0.80732 0.59395 1.00000
H16 H 0.89852 0.19268 0.40605 1.00000
H17 H 0.30824 0.60796 0.86932 1.00000
H18 H 0.69176 0.39204 0.13068 1.00000
H19 H 0.28740 0.43137 0.79664 1.00000
H20 H 0.71260 0.56863 0.20336 1.00000
Se1 Se 0.35192 0.01775 0.71043 1.00000
Se2 Se 0.64808 0.98225 0.28957 1.00000
O1 O 0.27163 0.90092 0.85885 1.00000
O2 O 0.72837 0.09908 0.14115 1.00000
O3 O 0.17519 0.28373 0.67068 1.00000
O4 O 0.82481 0.71627 0.32932 1.00000
O5 O 0.35162 0.85251 0.61336 1.00000
O6 O 0.64838 0.14749 0.38664 1.00000
O7 O 0.61544 0.03322 0.71030 1.00000
O8 O 0.38456 0.96678 0.28970 1.00000
O9 O 0.83053 0.82047 0.93876 1.00000
O10 O 0.16947 0.17953 0.06124 1.00000
O11 O 0.82601 0.29491 0.87780 1.00000
O12 O 0.17399 0.70509 0.12220 1.00000
O13 O 0.69906 0.46026 0.59690 1.00000
O14 O 0.30094 0.53974 0.40310 1.00000
O15 O 0.96959 0.76019 0.58432 1.00000
O16 O 0.03041 0.23981 0.41568 1.00000
O17 O 0.35706 0.44304 0.86905 1.00000
O18 O 0.64294 0.55696 0.13095 1.00000
