VCrCd(PO4)3
Alexandria ALEXAlex-ID: agm010950005 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E12_0_spg161
VCrCd(PO4)3
2025-02-02 13:41:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010950005).
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 agm010950005
data_agm010950005
_cell_length_a 8.75541
_cell_length_b 8.75541
_cell_length_c 8.75541
_cell_angle_alpha 58.91005
_cell_angle_beta 58.91005
_cell_angle_gamma 58.91005
_cell_volume 462.77994
_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 0.85434 0.85434 0.85434 1.00000
V2 V 0.35434 0.35434 0.35434 1.00000
Cr1 Cr 0.64449 0.64449 0.64449 1.00000
Cr2 Cr 0.14449 0.14449 0.14449 1.00000
Cd1 Cd 0.00112 0.00112 0.00112 1.00000
Cd2 Cd 0.50112 0.50112 0.50112 1.00000
P1 P 0.96101 0.24881 0.53834 1.00000
P2 P 0.53834 0.96101 0.24881 1.00000
P3 P 0.24881 0.53834 0.96101 1.00000
P4 P 0.74881 0.46101 0.03834 1.00000
P5 P 0.46101 0.03834 0.74881 1.00000
P6 P 0.03834 0.74881 0.46101 1.00000
O1 O 0.87929 0.70092 0.49211 1.00000
O2 O 0.70092 0.49211 0.87929 1.00000
O3 O 0.94513 0.07647 0.72925 1.00000
O4 O 0.49211 0.87929 0.70092 1.00000
O5 O 0.99211 0.20092 0.37929 1.00000
O6 O 0.77044 0.41521 0.56454 1.00000
O7 O 0.72925 0.94513 0.07647 1.00000
O8 O 0.56454 0.77044 0.41521 1.00000
O9 O 0.79804 0.62490 0.00640 1.00000
O10 O 0.41521 0.56454 0.77044 1.00000
O11 O 0.91521 0.27044 0.06454 1.00000
O12 O 0.62490 0.00640 0.79804 1.00000
O13 O 0.37929 0.99211 0.20092 1.00000
O14 O 0.07647 0.72925 0.94513 1.00000
O15 O 0.57647 0.44513 0.22925 1.00000
O16 O 0.20092 0.37929 0.99211 1.00000
O17 O 0.44513 0.22925 0.57647 1.00000
O18 O 0.27044 0.06454 0.91521 1.00000
O19 O 0.22925 0.57647 0.44513 1.00000
O20 O 0.00640 0.79804 0.62490 1.00000
O21 O 0.50640 0.12490 0.29804 1.00000
O22 O 0.06454 0.91521 0.27044 1.00000
O23 O 0.29804 0.50640 0.12490 1.00000
O24 O 0.12490 0.29804 0.50640 1.00000
