VCd2BO5
Alexandria ALEXAlex-ID: agm005150183 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_394_spg36
V2CdO4 Cd3(BO3)2
2023-01-21 04:03:12.398023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005150183).
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 agm005150183
data_agm005150183
_cell_length_a 2.88310
_cell_length_b 7.51029
_cell_length_c 10.53419
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.06623
_cell_volume 223.85462
_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 0.81332 0.62664 0.52654 1.00000
V2 V 0.18668 0.37336 0.02654 1.00000
Cd1 Cd 0.86342 0.72685 0.82319 1.00000
Cd2 Cd 0.08245 0.16491 0.67441 1.00000
Cd3 Cd 0.13658 0.27315 0.32319 1.00000
Cd4 Cd 0.91755 0.83509 0.17441 1.00000
B1 B 0.54384 0.08767 0.93296 1.00000
B2 B 0.45616 0.91233 0.43296 1.00000
O1 O 0.29741 0.59481 0.96689 1.00000
O2 O 0.64082 0.28165 0.90909 1.00000
O3 O 0.48668 0.97337 0.82553 1.00000
O4 O 0.31783 0.63565 0.65297 1.00000
O5 O 0.96568 0.93137 0.51239 1.00000
O6 O 0.70259 0.40519 0.46689 1.00000
O7 O 0.35918 0.71835 0.40909 1.00000
O8 O 0.51332 0.02663 0.32553 1.00000
O9 O 0.68217 0.36435 0.15297 1.00000
O10 O 0.03432 0.06863 0.01239 1.00000
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