Cs2MnH4(SeO5)2
Alexandria ALEXAlex-ID: agm006298089 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E10_4_spg2
Cs2Mn2(SeO4)3 Cs3H(SeO4)2 Cs2MnH12(SeO7)2 Mn2O3 Mn3Se3O10
2024-11-07 16:14:01.893558
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006298089).
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 agm006298089
data_agm006298089
_cell_length_a 5.47450
_cell_length_b 7.83938
_cell_length_c 8.07206
_cell_angle_alpha 78.13635
_cell_angle_beta 71.36190
_cell_angle_gamma 87.83739
_cell_volume 321.10027
_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
Cs1 Cs 0.68148 0.22198 0.14153 1.00000
Cs2 Cs 0.31852 0.77802 0.85847 1.00000
Mn1 Mn 0.00000 0.50000 0.50000 1.00000
H1 H 0.19598 0.17686 0.51862 1.00000
H2 H 0.80402 0.82314 0.48138 1.00000
H3 H 0.90014 0.15901 0.52679 1.00000
H4 H 0.09986 0.84099 0.47321 1.00000
Se1 Se 0.59979 0.70165 0.25799 1.00000
Se2 Se 0.40021 0.29835 0.74201 1.00000
O1 O 0.78830 0.53895 0.31132 1.00000
O2 O 0.21170 0.46105 0.68868 1.00000
O3 O 0.73930 0.81541 0.05277 1.00000
O4 O 0.26070 0.18459 0.94723 1.00000
O5 O 0.53647 0.83499 0.40551 1.00000
O6 O 0.46353 0.16501 0.59449 1.00000
O7 O 0.32348 0.60905 0.26371 1.00000
O8 O 0.67652 0.39095 0.73629 1.00000
O9 O 0.06599 0.21939 0.45697 1.00000
O10 O 0.93401 0.78061 0.54303 1.00000
Get direct link