MgV3CoSn2(PO4)6
Alexandria ALEXAlex-ID: agm005250042 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E6F24_17_spg1
Mg3Co3(PO4)4 VPO4 SnP2O7 Sn3(PO4)2 SnO2
2024-10-13 07:21:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005250042).
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 agm005250042
data_agm005250042
_cell_length_a 9.22380
_cell_length_b 8.64347
_cell_length_c 8.58334
_cell_angle_alpha 59.14345
_cell_angle_beta 62.06053
_cell_angle_gamma 61.68378
_cell_volume 493.65131
_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
Mg1 Mg 0.66562 0.75400 0.16666 1.00000
V1 V 0.05715 0.64519 0.62965 1.00000
V2 V 0.45999 0.85903 0.83904 1.00000
V3 V 0.94824 0.35222 0.35824 1.00000
Co1 Co 0.55445 0.16286 0.15260 1.00000
Sn1 Sn 0.05211 0.97561 0.98398 1.00000
Sn2 Sn 0.47833 0.41254 0.62474 1.00000
P1 P 0.24602 0.25359 0.53817 1.00000
P2 P 0.25661 0.95349 0.25170 1.00000
P3 P 0.24432 0.54431 0.95841 1.00000
P4 P 0.75794 0.47302 0.02707 1.00000
P5 P 0.75788 0.02708 0.73958 1.00000
P6 P 0.75758 0.75349 0.45397 1.00000
O1 O 0.10976 0.12437 0.28517 1.00000
O2 O 0.08488 0.51548 0.12912 1.00000
O3 O 0.07087 0.29840 0.52309 1.00000
O4 O 0.27431 0.05448 0.70656 1.00000
O5 O 0.39670 0.26030 0.36006 1.00000
O6 O 0.22964 0.39654 0.61331 1.00000
O7 O 0.27205 0.95104 0.06102 1.00000
O8 O 0.21786 0.76596 0.41211 1.00000
O9 O 0.61491 0.67298 0.00965 1.00000
O10 O 0.20450 0.61467 0.77073 1.00000
O11 O 0.71229 0.32762 0.02698 1.00000
O12 O 0.57257 0.06020 0.74291 1.00000
O13 O 0.43497 0.94266 0.23607 1.00000
O14 O 0.28499 0.70474 0.95213 1.00000
O15 O 0.78932 0.42647 0.21143 1.00000
O16 O 0.40789 0.36686 0.95153 1.00000
O17 O 0.78458 0.22370 0.61024 1.00000
O18 O 0.75559 0.96725 0.94412 1.00000
O19 O 0.75465 0.60885 0.39592 1.00000
O20 O 0.61239 0.75593 0.64086 1.00000
O21 O 0.73142 0.94495 0.28817 1.00000
O22 O 0.94034 0.68272 0.47106 1.00000
O23 O 0.92456 0.50547 0.85754 1.00000
O24 O 0.89703 0.88070 0.65454 1.00000
