K2MgH4(WO5)2
Alexandria ALEXAlex-ID: agm006306016 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E10_4_spg2
Mg(HO)2 K2W2O7 H2O
2025-02-26 16:45:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006306016).
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 agm006306016
data_agm006306016
_cell_length_a 6.01653
_cell_length_b 6.62860
_cell_length_c 8.19201
_cell_angle_alpha 101.86171
_cell_angle_beta 111.17354
_cell_angle_gamma 109.31145
_cell_volume 267.18497
_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
K1 K 0.91380 0.52730 0.24925 1.00000
K2 K 0.08620 0.47270 0.75075 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
H1 H 0.36886 0.42134 0.29152 1.00000
H2 H 0.63114 0.57866 0.70848 1.00000
H3 H 0.26896 0.25705 0.38907 1.00000
H4 H 0.73104 0.74295 0.61093 1.00000
W1 W 0.43069 0.10506 0.76133 1.00000
W2 W 0.56931 0.89494 0.23867 1.00000
O1 O 0.25161 0.80973 0.60732 1.00000
O2 O 0.74839 0.19027 0.39268 1.00000
O3 O 0.39657 0.29159 0.62759 1.00000
O4 O 0.60343 0.70841 0.37241 1.00000
O5 O 0.29362 0.15997 0.92272 1.00000
O6 O 0.70638 0.84003 0.07728 1.00000
O7 O 0.78507 0.18441 0.89605 1.00000
O8 O 0.21493 0.81559 0.10395 1.00000
O9 O 0.21872 0.27581 0.26509 1.00000
O10 O 0.78128 0.72419 0.73491 1.00000
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