MgFe(PO3)4
Alexandria ALEXAlex-ID: agm003243715 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_2_spg15
MgFe(PO3)4
2021-12-17 14:51:01.420292
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243715).
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 agm003243715
data_agm003243715
_cell_length_a 7.34049
_cell_length_b 7.34049
_cell_length_c 10.15891
_cell_angle_alpha 66.55577
_cell_angle_beta 66.55577
_cell_angle_gamma 69.89870
_cell_volume 449.42964
_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 0.95265 0.04735 0.25000 1.00000
Mg2 Mg 0.04735 0.95265 0.75000 1.00000
Fe1 Fe 0.00000 0.50000 0.00000 1.00000
Fe2 Fe 0.50000 0.00000 0.50000 1.00000
P1 P 0.70615 0.68519 0.30652 1.00000
P2 P 0.31481 0.29385 0.19348 1.00000
P3 P 0.29385 0.31481 0.69348 1.00000
P4 P 0.68519 0.70615 0.80652 1.00000
P5 P 0.74699 0.26867 0.52269 1.00000
P6 P 0.73133 0.25301 0.97731 1.00000
P7 P 0.25301 0.73133 0.47731 1.00000
P8 P 0.26867 0.74699 0.02269 1.00000
O1 O 0.46867 0.69213 0.34988 1.00000
O2 O 0.30787 0.53133 0.15012 1.00000
O3 O 0.53133 0.30787 0.65012 1.00000
O4 O 0.69213 0.46867 0.84988 1.00000
O5 O 0.78276 0.49688 0.43758 1.00000
O6 O 0.50312 0.21724 0.06242 1.00000
O7 O 0.21724 0.50312 0.56242 1.00000
O8 O 0.49688 0.78276 0.93758 1.00000
O9 O 0.80782 0.64724 0.15804 1.00000
O10 O 0.35276 0.19218 0.34196 1.00000
O11 O 0.19218 0.35276 0.84196 1.00000
O12 O 0.64724 0.80782 0.65804 1.00000
O13 O 0.72805 0.87252 0.32284 1.00000
O14 O 0.12748 0.27195 0.17716 1.00000
O15 O 0.27195 0.12748 0.67716 1.00000
O16 O 0.87252 0.72805 0.82284 1.00000
O17 O 0.72055 0.18937 0.41547 1.00000
O18 O 0.81063 0.27945 0.08453 1.00000
O19 O 0.27945 0.81063 0.58453 1.00000
O20 O 0.18937 0.72055 0.91547 1.00000
O21 O 0.90680 0.15235 0.59709 1.00000
O22 O 0.84765 0.09320 0.90291 1.00000
O23 O 0.09320 0.84765 0.40291 1.00000
O24 O 0.15235 0.90680 0.09709 1.00000
