Sr3HoNb2V2O12
Alexandria ALEXAlex-ID: agm010761374 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
HoNbO4 Sr2NbVO6 Ho3VO6 V
2024-04-14 05:29:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010761374).
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 agm010761374
data_agm010761374
_cell_length_a 5.61683
_cell_length_b 5.75001
_cell_length_c 7.97985
_cell_angle_alpha 89.90726
_cell_angle_beta 89.93977
_cell_angle_gamma 90.68882
_cell_volume 257.70455
_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
Sr1 Sr 0.48916 0.46007 0.24868 1.00000
Sr2 Sr 0.00544 0.96951 0.25016 1.00000
Sr3 Sr 0.50728 0.53613 0.75160 1.00000
Ho1 Ho 0.98729 0.06224 0.75579 1.00000
Nb1 Nb 0.00576 0.50441 0.50027 1.00000
Nb2 Nb 0.49523 0.99629 0.99992 1.00000
V1 V 0.99978 0.50237 0.99827 1.00000
V2 V 0.49902 0.00065 0.50470 1.00000
O1 O 0.72227 0.27381 0.54388 1.00000
O2 O 0.79559 0.81301 0.94260 1.00000
O3 O 0.30313 0.71128 0.03222 1.00000
O4 O 0.20973 0.22091 0.46487 1.00000
O5 O 0.29254 0.71005 0.46772 1.00000
O6 O 0.21391 0.20114 0.02668 1.00000
O7 O 0.71371 0.27133 0.95351 1.00000
O8 O 0.81084 0.79480 0.55889 1.00000
O9 O 0.56224 0.00904 0.24948 1.00000
O10 O 0.92943 0.52126 0.25846 1.00000
O11 O 0.38901 0.98585 0.74687 1.00000
O12 O 0.06861 0.45583 0.74545 1.00000
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