MgV3CoSn2(PO4)6
Alexandria ALEXAlex-ID: agm005289599 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E6F24_19_spg1
Mg3Co3(PO4)4 VPO4 SnP2O7 Sn3(PO4)2 SnO2
2024-10-13 05:01:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289599).
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 agm005289599
data_agm005289599
_cell_length_a 9.20613
_cell_length_b 8.62429
_cell_length_c 8.61784
_cell_angle_alpha 61.62983
_cell_angle_beta 61.30610
_cell_angle_gamma 64.23111
_cell_volume 508.84325
_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 0.46936 0.97495 0.45998 1.00000
V1 V 0.06115 0.64940 0.65188 1.00000
V2 V 0.44257 0.84125 0.87526 1.00000
V3 V 0.95947 0.33441 0.35253 1.00000
Co1 Co 0.51957 0.21344 0.09167 1.00000
Sn1 Sn 0.93085 0.03324 0.01655 1.00000
Sn2 Sn 0.54850 0.45234 0.50275 1.00000
P1 P 0.24339 0.26174 0.53920 1.00000
P2 P 0.24688 0.95755 0.26219 1.00000
P3 P 0.24819 0.54956 0.94835 1.00000
P4 P 0.74674 0.46679 0.04111 1.00000
P5 P 0.75380 0.03025 0.74626 1.00000
P6 P 0.76675 0.72388 0.47494 1.00000
O1 O 0.07798 0.10996 0.29445 1.00000
O2 O 0.10657 0.48392 0.12895 1.00000
O3 O 0.07824 0.27602 0.52520 1.00000
O4 O 0.29968 0.06549 0.67959 1.00000
O5 O 0.40416 0.25905 0.35331 1.00000
O6 O 0.21886 0.41565 0.59998 1.00000
O7 O 0.29102 0.95209 0.06900 1.00000
O8 O 0.22359 0.77061 0.41576 1.00000
O9 O 0.58559 0.62378 0.02970 1.00000
O10 O 0.19162 0.62208 0.77515 1.00000
O11 O 0.72830 0.29213 0.04075 1.00000
O12 O 0.59368 0.00130 0.76381 1.00000
O13 O 0.39619 0.99513 0.26768 1.00000
O14 O 0.27590 0.71346 0.94612 1.00000
O15 O 0.76711 0.41085 0.23334 1.00000
O16 O 0.41706 0.39892 0.90585 1.00000
O17 O 0.76796 0.21948 0.58396 1.00000
O18 O 0.72754 0.05094 0.93036 1.00000
O19 O 0.78217 0.56305 0.42946 1.00000
O20 O 0.58861 0.75498 0.63439 1.00000
O21 O 0.73996 0.90863 0.30862 1.00000
O22 O 0.92304 0.69026 0.51621 1.00000
O23 O 0.91526 0.50344 0.88208 1.00000
O24 O 0.91984 0.88311 0.70018 1.00000
