KSm3V3CrO12
Alexandria ALEXAlex-ID: agm010520122 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D3E12_21_spg1
K3SmV2O8 VCrO3 Sm2VCrO6 SmVO3 SmVO4
2024-05-04 17:47:30.824429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010520122).
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 agm010520122
data_agm010520122
_cell_length_a 5.48294
_cell_length_b 5.61651
_cell_length_c 7.71452
_cell_angle_alpha 89.98203
_cell_angle_beta 89.65667
_cell_angle_gamma 89.85658
_cell_volume 237.56341
_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
K1 K 0.50618 0.52728 0.24947 1.00000
Sm1 Sm 0.98114 0.05207 0.24772 1.00000
Sm2 Sm 0.48733 0.44494 0.75227 1.00000
Sm3 Sm 0.00776 0.95485 0.75236 1.00000
V1 V 0.50127 0.99512 0.50044 1.00000
V2 V 0.99934 0.50334 0.49497 1.00000
V3 V 0.50399 0.99511 0.00463 1.00000
Cr1 Cr 0.99889 0.50272 0.99842 1.00000
O1 O 0.40938 0.99462 0.23688 1.00000
O2 O 0.04778 0.47236 0.25859 1.00000
O3 O 0.57899 0.01319 0.75892 1.00000
O4 O 0.90932 0.53075 0.74568 1.00000
O5 O 0.21553 0.21437 0.94861 1.00000
O6 O 0.28253 0.71265 0.55352 1.00000
O7 O 0.81135 0.80268 0.46491 1.00000
O8 O 0.72520 0.27083 0.02648 1.00000
O9 O 0.80710 0.80657 0.03614 1.00000
O10 O 0.72654 0.27286 0.47827 1.00000
O11 O 0.21419 0.21752 0.55074 1.00000
O12 O 0.28619 0.71617 0.94097 1.00000
Get direct link