MgH10SO9
Alexandria ALEXAlex-ID: agm005222206 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC9D10_6_spg2
MgH2SO5 H2O
2023-05-30 06:01:47.527471
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222206).
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 agm005222206
data_agm005222206
_cell_length_a 5.66209
_cell_length_b 7.03416
_cell_length_c 10.76165
_cell_angle_alpha 71.05675
_cell_angle_beta 81.73569
_cell_angle_gamma 72.62170
_cell_volume 386.37682
_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 0.00000 0.50000 1.00000
H1 H 0.16929 0.28816 0.20271 1.00000
H2 H 0.83071 0.71184 0.79729 1.00000
H3 H 0.14614 0.50932 0.10440 1.00000
H4 H 0.85386 0.49068 0.89560 1.00000
H5 H 0.05334 0.39139 0.37390 1.00000
H6 H 0.94666 0.60861 0.62610 1.00000
H7 H 0.59049 0.91652 0.39992 1.00000
H8 H 0.40951 0.08348 0.60008 1.00000
H9 H 0.87259 0.79513 0.37822 1.00000
H10 H 0.12741 0.20487 0.62178 1.00000
H11 H 0.56955 0.24062 0.11049 1.00000
H12 H 0.43045 0.75938 0.88951 1.00000
H13 H 0.76012 0.08853 0.21599 1.00000
H14 H 0.23988 0.91147 0.78401 1.00000
H15 H 0.81997 0.70252 0.99783 1.00000
H16 H 0.18003 0.29748 0.00217 1.00000
H17 H 0.75787 0.70802 0.14748 1.00000
H18 H 0.24213 0.29198 0.85252 1.00000
H19 H 0.20702 0.60630 0.65580 1.00000
H20 H 0.79298 0.39370 0.34420 1.00000
S1 S 0.68515 0.24663 0.70894 1.00000
S2 S 0.31485 0.75337 0.29106 1.00000
O1 O 0.75053 0.63810 0.87859 1.00000
O2 O 0.24947 0.36190 0.12141 1.00000
O3 O 0.76363 0.92804 0.39328 1.00000
O4 O 0.23637 0.07196 0.60672 1.00000
O5 O 0.74455 0.15649 0.12053 1.00000
O6 O 0.25545 0.84351 0.87947 1.00000
O7 O 0.88150 0.73088 0.07188 1.00000
O8 O 0.11850 0.26912 0.92812 1.00000
O9 O 0.57436 0.62707 0.28187 1.00000
O10 O 0.42564 0.37293 0.71813 1.00000
O11 O 0.14503 0.61861 0.35319 1.00000
O12 O 0.85497 0.38139 0.64681 1.00000
O13 O 0.30215 0.88862 0.37843 1.00000
O14 O 0.69785 0.11138 0.62157 1.00000
O15 O 0.23594 0.89126 0.15906 1.00000
O16 O 0.76406 0.10874 0.84094 1.00000
O17 O 0.03923 0.70274 0.63511 1.00000
O18 O 0.96077 0.29726 0.36489 1.00000
