MnP6(WO8)3
Alexandria ALEXAlex-ID: agm003242513 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
MnP6(WO8)3
2021-12-26 19:41:07.643624
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242513).
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 agm003242513
data_agm003242513
_cell_length_a 8.98186
_cell_length_b 8.98186
_cell_length_c 8.98186
_cell_angle_alpha 58.39847
_cell_angle_beta 58.39847
_cell_angle_gamma 58.39847
_cell_volume 493.58772
_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
Mn1 Mn 0.13884 0.13884 0.13884 1.00000
P1 P 0.53187 0.96211 0.25154 1.00000
P2 P 0.25154 0.53187 0.96211 1.00000
P3 P 0.96211 0.25154 0.53187 1.00000
P4 P 0.03696 0.74426 0.47011 1.00000
P5 P 0.74426 0.47011 0.03696 1.00000
P6 P 0.47011 0.03696 0.74426 1.00000
W1 W 0.85644 0.85644 0.85644 1.00000
W2 W 0.64260 0.64260 0.64260 1.00000
W3 W 0.35679 0.35679 0.35679 1.00000
O1 O 0.52817 0.88016 0.67292 1.00000
O2 O 0.88016 0.67292 0.52817 1.00000
O3 O 0.70224 0.95224 0.06860 1.00000
O4 O 0.67292 0.52817 0.88016 1.00000
O5 O 0.60400 0.77487 0.40718 1.00000
O6 O 0.35867 0.97011 0.25920 1.00000
O7 O 0.06860 0.70224 0.95224 1.00000
O8 O 0.40718 0.60400 0.77487 1.00000
O9 O 0.77487 0.40718 0.60400 1.00000
O10 O 0.01522 0.75589 0.64842 1.00000
O11 O 0.02185 0.92263 0.31159 1.00000
O12 O 0.75589 0.64842 0.01522 1.00000
O13 O 0.25920 0.35867 0.97011 1.00000
O14 O 0.95224 0.06860 0.70224 1.00000
O15 O 0.97011 0.25920 0.35867 1.00000
O16 O 0.22056 0.58063 0.42952 1.00000
O17 O 0.58063 0.42952 0.22056 1.00000
O18 O 0.92263 0.31159 0.02185 1.00000
O19 O 0.64842 0.01522 0.75589 1.00000
O20 O 0.42952 0.22056 0.58063 1.00000
O21 O 0.29069 0.50828 0.12484 1.00000
O22 O 0.31159 0.02185 0.92263 1.00000
O23 O 0.12484 0.29069 0.50828 1.00000
O24 O 0.50828 0.12484 0.29069 1.00000
