NaCr2SeO8
Alexandria ALEXAlex-ID: agm004900554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_339_spg12
Na3Cr(SeO4)3 Na2O9 NaCr(SeO4)2 CrO2
2023-01-06 04:10:51.168304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900554).
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 agm004900554
data_agm004900554
_cell_length_a 4.78112
_cell_length_b 4.78155
_cell_length_c 6.55949
_cell_angle_alpha 79.48366
_cell_angle_beta 79.49535
_cell_angle_gamma 75.05630
_cell_volume 141.00098
_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 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.44233 0.44232 0.72905 1.00000
Cr2 Cr 0.55767 0.55768 0.27095 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
O1 O 0.19500 0.75819 0.20965 1.00000
O2 O 0.75918 0.75990 0.03387 1.00000
O3 O 0.75872 0.19529 0.20965 1.00000
O4 O 0.80500 0.24181 0.79035 1.00000
O5 O 0.24082 0.24010 0.96613 1.00000
O6 O 0.24128 0.80471 0.79035 1.00000
O7 O 0.66216 0.66256 0.48029 1.00000
O8 O 0.33784 0.33744 0.51971 1.00000
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