V15CrO24
Alexandria ALEXAlex-ID: agm017627082 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB15C24_3_spg1
VCrO3 V2O3
2024-12-31 21:20:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017627082).
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 agm017627082
data_agm017627082
_cell_length_a 5.55430
_cell_length_b 9.14101
_cell_length_c 9.14052
_cell_angle_alpha 68.30552
_cell_angle_beta 84.94442
_cell_angle_gamma 84.95218
_cell_volume 428.76191
_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
V1 V 0.20107 0.92604 0.42492 1.00000
V2 V 0.29731 0.82547 0.82515 1.00000
V3 V 0.29866 0.57507 0.57363 1.00000
V4 V 0.79748 0.82513 0.32270 1.00000
V5 V 0.20280 0.67635 0.17443 1.00000
V6 V 0.20199 0.42497 0.92497 1.00000
V7 V 0.70198 0.67552 0.67533 1.00000
V8 V 0.20206 0.17567 0.67628 1.00000
V9 V 0.79802 0.32215 0.82522 1.00000
V10 V 0.70364 0.42574 0.42572 1.00000
V11 V 0.29962 0.32533 0.32422 1.00000
V12 V 0.80009 0.57307 0.07466 1.00000
V13 V 0.79795 0.07570 0.57465 1.00000
V14 V 0.70197 0.17405 0.17544 1.00000
V15 V 0.29733 0.07387 0.07532 1.00000
Cr1 Cr 0.69719 0.92376 0.92465 1.00000
O1 O 0.15128 0.97501 0.62560 1.00000
O2 O 0.99799 0.77685 0.97238 1.00000
O3 O 0.65185 0.87546 0.72443 1.00000
O4 O 0.99639 0.72403 0.52649 1.00000
O5 O 0.15184 0.87555 0.22260 1.00000
O6 O 0.65108 0.97113 0.12424 1.00000
O7 O 0.49699 0.77805 0.47332 1.00000
O8 O 0.34911 0.62550 0.77572 1.00000
O9 O 0.15270 0.37478 0.72184 1.00000
O10 O 0.50072 0.72354 0.02640 1.00000
O11 O 0.84941 0.52496 0.87576 1.00000
O12 O 0.35022 0.52851 0.37500 1.00000
O13 O 0.15475 0.47338 0.12512 1.00000
O14 O 0.65304 0.47260 0.62586 1.00000
O15 O 0.49631 0.27599 0.97440 1.00000
O16 O 0.00184 0.27690 0.47340 1.00000
O17 O 0.85022 0.62536 0.27588 1.00000
O18 O 0.65325 0.37482 0.22425 1.00000
O19 O 0.50167 0.22382 0.52657 1.00000
O20 O 0.99662 0.22379 0.02717 1.00000
O21 O 0.35090 0.02704 0.87568 1.00000
O22 O 0.84665 0.12346 0.77921 1.00000
O23 O 0.34829 0.12520 0.27639 1.00000
O24 O 0.84774 0.02641 0.37500 1.00000
