Mn7P6
Alexandria ALEXAlex-ID: agm005515399 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A6B7_11_spg166
Mn2P MnP
2023-06-02 08:20:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005515399).
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 agm005515399
data_agm005515399
_cell_length_a 8.63218
_cell_length_b 8.63218
_cell_length_c 8.63218
_cell_angle_alpha 33.34256
_cell_angle_beta 33.34256
_cell_angle_gamma 33.34256
_cell_volume 173.02697
_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
P1 P 0.09079 0.09079 0.09079 1.00000
P2 P 0.90921 0.90921 0.90921 1.00000
P3 P 0.18563 0.18563 0.18563 1.00000
P4 P 0.81437 0.81437 0.81437 1.00000
P5 P 0.33198 0.33198 0.33198 1.00000
P6 P 0.66802 0.66802 0.66802 1.00000
Mn1 Mn 0.57286 0.07694 0.57286 1.00000
Mn2 Mn 0.57286 0.57286 0.07694 1.00000
Mn3 Mn 0.07694 0.57286 0.57286 1.00000
Mn4 Mn 0.42714 0.92306 0.42714 1.00000
Mn5 Mn 0.92306 0.42714 0.42714 1.00000
Mn6 Mn 0.42714 0.42714 0.92306 1.00000
Mn7 Mn 0.50000 0.50000 0.50000 1.00000
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