Zn2Cr2O7
Alexandria ALEXAlex-ID: agm002175481 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1_spg12
ZnCrO4 ZnCr2O4 ZnO
2018-06-16 05:01:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002175481).
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
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# CIF generated by HEAS from Alexandria entry agm002175481
data_agm002175481
_cell_length_a 5.04721
_cell_length_b 5.40953
_cell_length_c 5.40953
_cell_angle_alpha 110.12878
_cell_angle_beta 96.21291
_cell_angle_gamma 96.21291
_cell_volume 136.17667
_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
Cr1 Cr 0.88731 0.25280 0.25280 1.00000
Cr2 Cr 0.11269 0.74720 0.74720 1.00000
Zn1 Zn 0.50000 0.31276 0.68724 1.00000
Zn2 Zn 0.50000 0.68724 0.31276 1.00000
O1 O 0.21712 0.42771 0.42771 1.00000
O2 O 0.78288 0.57229 0.57229 1.00000
O3 O 0.29905 0.93705 0.60656 1.00000
O4 O 0.70095 0.39344 0.06295 1.00000
O5 O 0.00000 0.00000 0.00000 1.00000
O6 O 0.29905 0.60656 0.93705 1.00000
O7 O 0.70095 0.06295 0.39344 1.00000
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