MnP2
Alexandria ALEXAlex-ID: agm002177828 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_83_spg12
MnP4 MnP
2018-05-25 19:27:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002177828).
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
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# CIF generated by HEAS from Alexandria entry agm002177828
data_agm002177828
_cell_length_a 3.19322
_cell_length_b 4.26675
_cell_length_c 6.15842
_cell_angle_alpha 80.02179
_cell_angle_beta 74.97407
_cell_angle_gamma 68.02529
_cell_volume 74.87710
_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 0.84801 0.26697 0.03701 1.00000
P2 P 0.15199 0.73303 0.96299 1.00000
P3 P 0.59780 0.20551 0.59889 1.00000
P4 P 0.40220 0.79449 0.40111 1.00000
Mn1 Mn 0.15636 0.39089 0.29639 1.00000
Mn2 Mn 0.84364 0.60911 0.70361 1.00000
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