ZnCr(BiO3)2
Alexandria ALEXAlex-ID: agm002174673 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_39_spg8
Cr(Bi7O12)2 ZnO Cr2(Bi2O5)3 ZnCr2O4
2018-06-09 00:36:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002174673).
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 agm002174673
data_agm002174673
_cell_length_a 5.43551
_cell_length_b 5.43549
_cell_length_c 5.94486
_cell_angle_alpha 117.25492
_cell_angle_beta 117.25247
_cell_angle_gamma 88.24572
_cell_volume 135.19644
_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 0.82679 0.82676 0.62980 1.00000
Zn1 Zn 0.26624 0.26623 0.54285 1.00000
Bi1 Bi 0.98908 0.52579 0.00733 1.00000
Bi2 Bi 0.52577 0.98910 0.00731 1.00000
O1 O 0.01616 0.01615 0.12751 1.00000
O2 O 0.65376 0.65369 0.24311 1.00000
O3 O 0.58865 0.58863 0.68428 1.00000
O4 O 0.61803 0.10845 0.72405 1.00000
O5 O 0.11808 0.11805 0.73152 1.00000
O6 O 0.10847 0.61801 0.72406 1.00000
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