Cs6Cr2O7
Alexandria ALEXAlex-ID: agm003239474 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B6C7_12_spg7
Cs6Cr2O7
2021-12-24 00:28:28.648522
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239474).
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 agm003239474
data_agm003239474
_cell_length_a 7.33275
_cell_length_b 9.94627
_cell_length_c 10.10387
_cell_angle_alpha 89.99962
_cell_angle_beta 91.06955
_cell_angle_gamma 90.00046
_cell_volume 736.78244
_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 0.62530 0.28788 0.72024 1.00000
Cs2 Cs 0.87470 0.78788 0.77976 1.00000
Cs3 Cs 0.37470 0.71213 0.27976 1.00000
Cs4 Cs 0.12530 0.21212 0.22024 1.00000
Cs5 Cs 0.25259 0.97196 0.54832 1.00000
Cs6 Cs 0.24741 0.47196 0.95167 1.00000
Cs7 Cs 0.74741 0.02804 0.45168 1.00000
Cs8 Cs 0.75259 0.52804 0.04832 1.00000
Cs9 Cs 0.37087 0.85520 0.91758 1.00000
Cs10 Cs 0.12913 0.35520 0.58241 1.00000
Cs11 Cs 0.62913 0.14480 0.08242 1.00000
Cs12 Cs 0.87087 0.64480 0.41759 1.00000
Cr1 Cr 0.04704 0.13456 0.87284 1.00000
Cr2 Cr 0.54704 0.36544 0.37285 1.00000
Cr3 Cr 0.45296 0.63457 0.62715 1.00000
Cr4 Cr 0.95296 0.86544 0.12715 1.00000
O1 O 0.49999 0.50001 0.50000 1.00000
O2 O 0.00001 1.00000 0.00000 1.00000
O3 O 0.54691 0.58437 0.78444 1.00000
O4 O 0.95310 0.08437 0.71555 1.00000
O5 O 0.45310 0.41563 0.21555 1.00000
O6 O 0.04690 0.91563 0.28445 1.00000
O7 O 0.56765 0.78276 0.56882 1.00000
O8 O 0.93235 0.28275 0.93118 1.00000
O9 O 0.43235 0.21724 0.43118 1.00000
O10 O 0.06765 0.71724 0.06883 1.00000
O11 O 0.21142 0.66204 0.63457 1.00000
O12 O 0.28858 0.16204 0.86544 1.00000
O13 O 0.78858 0.33796 0.36544 1.00000
O14 O 0.71142 0.83796 0.13456 1.00000
