NaSr2Ce2Cr2FeGe8HO27
Alexandria ALEXAlex-ID: agm006835992 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2F2G8H27_1_spg5
CeO2 CrHO2 GeO2 Na4Ge9O20 Cr2O3 Sr4Cr(FeO5)2 Ge
2024-07-10 07:53:23.520375
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006835992).
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 agm006835992
data_agm006835992
_cell_length_a 7.40448
_cell_length_b 7.56266
_cell_length_c 11.89852
_cell_angle_alpha 74.91330
_cell_angle_beta 75.66010
_cell_angle_gamma 84.92670
_cell_volume 623.07445
_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
Na1 Na 0.01332 0.99824 0.99871 1.00000
Sr1 Sr 0.25611 0.30098 0.49610 1.00000
Sr2 Sr 0.66641 0.72841 0.50719 1.00000
Ce1 Ce 0.80385 0.48981 0.03892 1.00000
Ce2 Ce 0.52012 0.12719 0.95773 1.00000
Cr1 Cr 0.74567 0.36900 0.36351 1.00000
Cr2 Cr 0.64021 0.25719 0.63179 1.00000
Fe1 Fe 0.32055 0.66871 0.00259 1.00000
Ge1 Ge 0.11509 0.14686 0.20774 1.00000
Ge2 Ge 0.87472 0.88959 0.78842 1.00000
Ge3 Ge 0.52709 0.09866 0.26271 1.00000
Ge4 Ge 0.89955 0.48028 0.73771 1.00000
Ge5 Ge 0.05928 0.69979 0.26304 1.00000
Ge6 Ge 0.32860 0.92554 0.73700 1.00000
Ge7 Ge 0.29144 0.50401 0.77828 1.00000
Ge8 Ge 0.47704 0.70614 0.23453 1.00000
H1 H 0.85230 0.07741 0.48344 1.00000
O1 O 0.88347 0.57753 0.36970 1.00000
O2 O 0.46003 0.08422 0.62097 1.00000
O3 O 0.93571 0.31253 0.21561 1.00000
O4 O 0.71189 0.07110 0.77252 1.00000
O5 O 0.85666 0.19872 0.49624 1.00000
O6 O 0.28274 0.17331 0.28877 1.00000
O7 O 0.84243 0.72466 0.71239 1.00000
O8 O 0.44464 0.82807 0.09412 1.00000
O9 O 0.17029 0.55439 0.91305 1.00000
O10 O 0.52314 0.50723 0.00377 1.00000
O11 O 0.01102 0.92781 0.28529 1.00000
O12 O 0.09777 0.99062 0.71545 1.00000
O13 O 0.26163 0.60274 0.32065 1.00000
O14 O 0.40372 0.71500 0.69192 1.00000
O15 O 0.81519 0.44409 0.62382 1.00000
O16 O 0.58868 0.16008 0.37751 1.00000
O17 O 0.14978 0.45934 0.68663 1.00000
O18 O 0.53119 0.85092 0.31751 1.00000
O19 O 0.22177 0.15742 0.05708 1.00000
O20 O 0.83849 0.80146 0.94328 1.00000
O21 O 0.55281 0.43424 0.49879 1.00000
O22 O 0.65393 0.15442 0.11295 1.00000
O23 O 0.84362 0.34370 0.88489 1.00000
O24 O 0.64440 0.52987 0.22593 1.00000
O25 O 0.46017 0.32679 0.78187 1.00000
O26 O 0.08354 0.69468 0.11403 1.00000
O27 O 0.33590 0.91127 0.88587 1.00000
