K2Cr2Hg(H2O5)2
Alexandria ALEXAlex-ID: agm006296124 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E10_2_spg2
K2CrO4 CrHO2 HgO5 HgO H2O
2025-01-18 09:13:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006296124).
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 agm006296124
data_agm006296124
_cell_length_a 6.55722
_cell_length_b 7.78213
_cell_length_c 11.85857
_cell_angle_alpha 72.21828
_cell_angle_beta 75.87568
_cell_angle_gamma 69.23306
_cell_volume 532.48824
_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 0.19314 0.24549 0.59855 1.00000
K2 K 0.72958 0.26158 0.08020 1.00000
K3 K 0.27042 0.73842 0.91980 1.00000
K4 K 0.80686 0.75451 0.40145 1.00000
Cr1 Cr 0.74725 0.76356 0.08250 1.00000
Cr2 Cr 0.72409 0.23305 0.42415 1.00000
Cr3 Cr 0.25275 0.23644 0.91750 1.00000
Cr4 Cr 0.27591 0.76695 0.57585 1.00000
Hg1 Hg 0.74827 0.97483 0.74799 1.00000
Hg2 Hg 0.25173 0.02517 0.25201 1.00000
H1 H 0.65513 0.30866 0.80697 1.00000
H2 H 0.65155 0.66108 0.71004 1.00000
H3 H 0.33075 0.60734 0.33056 1.00000
H4 H 0.82405 0.57331 0.80635 1.00000
H5 H 0.34845 0.33892 0.28996 1.00000
H6 H 0.17595 0.42669 0.19365 1.00000
H7 H 0.66925 0.39266 0.66944 1.00000
H8 H 0.34487 0.69134 0.19303 1.00000
O1 O 0.75553 0.29100 0.73012 1.00000
O2 O 0.86201 0.35497 0.44740 1.00000
O3 O 0.56411 0.66390 0.07769 1.00000
O4 O 0.86464 0.12588 0.31176 1.00000
O5 O 0.35984 0.10344 0.81598 1.00000
O6 O 0.18629 0.09882 0.05188 1.00000
O7 O 0.43589 0.33610 0.92231 1.00000
O8 O 0.64016 0.89656 0.18402 1.00000
O9 O 0.97577 0.59851 0.12241 1.00000
O10 O 0.68985 0.67896 0.78134 1.00000
O11 O 0.52392 0.62612 0.61110 1.00000
O12 O 0.47608 0.37388 0.38890 1.00000
O13 O 0.02423 0.40149 0.87759 1.00000
O14 O 0.68077 0.06648 0.54847 1.00000
O15 O 0.31015 0.32104 0.21866 1.00000
O16 O 0.13799 0.64503 0.55260 1.00000
O17 O 0.81371 0.90118 0.94812 1.00000
O18 O 0.24447 0.70900 0.26988 1.00000
O19 O 0.31923 0.93352 0.45153 1.00000
O20 O 0.13536 0.87412 0.68824 1.00000
