Sr3LaV4O12
Alexandria ALEXAlex-ID: agm010717359 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_7_spg6
SrVO3 LaVO3
2024-04-08 11:09:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010717359).
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 agm010717359
data_agm010717359
_cell_length_a 5.54793
_cell_length_b 5.56863
_cell_length_c 7.86066
_cell_angle_alpha 90.05344
_cell_angle_beta 89.83155
_cell_angle_gamma 89.02537
_cell_volume 242.81378
_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 0.49079 0.50395 0.24908 1.00000
Sr2 Sr 0.99338 0.99912 0.24944 1.00000
Sr3 Sr 0.50839 0.49904 0.75057 1.00000
La1 La 0.00978 0.00019 0.74968 1.00000
V1 V 0.49982 0.99899 0.49783 1.00000
V2 V 0.00035 0.50237 0.00139 1.00000
V3 V 0.50072 0.99986 0.99995 1.00000
V4 V 0.00007 0.50170 0.49894 1.00000
O1 O 0.25686 0.27119 0.52514 1.00000
O2 O 0.76709 0.23092 0.96784 1.00000
O3 O 0.74590 0.72955 0.02021 1.00000
O4 O 0.22981 0.77109 0.47894 1.00000
O5 O 0.73767 0.72377 0.48265 1.00000
O6 O 0.23823 0.76377 0.02114 1.00000
O7 O 0.24969 0.26514 0.97160 1.00000
O8 O 0.77328 0.22446 0.53373 1.00000
O9 O 0.99685 0.45218 0.25086 1.00000
O10 O 0.50770 0.04114 0.26143 1.00000
O11 O 0.00417 0.56158 0.74929 1.00000
O12 O 0.48946 0.96000 0.74033 1.00000
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