NaCeV4O12
Alexandria ALEXAlex-ID: agm005258715 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_106_spg38
NaV2O5 CeV2O7
2023-05-07 18:42:24.558190
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258715).
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 agm005258715
data_agm005258715
_cell_length_a 6.04395
_cell_length_b 6.04395
_cell_length_c 7.31904
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.58809
_cell_volume 250.28393
_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 0.02116 0.97884 0.50000 1.00000
Ce1 Ce 0.57660 0.42340 0.00000 1.00000
V1 V 0.04822 0.46742 0.74781 1.00000
V2 V 0.04822 0.46742 0.25219 1.00000
V3 V 0.53258 0.95178 0.25219 1.00000
V4 V 0.53258 0.95178 0.74781 1.00000
O1 O 0.22751 0.31911 0.80296 1.00000
O2 O 0.68089 0.77249 0.80296 1.00000
O3 O 0.68089 0.77249 0.19704 1.00000
O4 O 0.22751 0.31911 0.19704 1.00000
O5 O 0.71679 0.28321 0.75180 1.00000
O6 O 0.21630 0.78370 0.71231 1.00000
O7 O 0.21630 0.78370 0.28769 1.00000
O8 O 0.71679 0.28321 0.24820 1.00000
O9 O 0.97864 0.53639 0.00000 1.00000
O10 O 0.03697 0.41325 0.50000 1.00000
O11 O 0.46361 0.02136 0.00000 1.00000
O12 O 0.58675 0.96303 0.50000 1.00000
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