Sr2MnP2
Alexandria ALEXAlex-ID: agm005963319 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1646_spg72
Sr(MnP)2 Sr3P2
2023-08-04 05:00:30.132077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963319).
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 agm005963319
data_agm005963319
_cell_length_a 5.90615
_cell_length_b 6.60342
_cell_length_c 7.67648
_cell_angle_alpha 115.47437
_cell_angle_beta 112.62459
_cell_angle_gamma 90.00000
_cell_volume 244.51494
_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
Sr1 Sr 0.85629 0.67250 0.71257 1.00000
Sr2 Sr 0.14371 0.32750 0.28743 1.00000
Sr3 Sr 0.64371 0.95993 0.28743 1.00000
Sr4 Sr 0.35629 0.04007 0.71257 1.00000
Mn1 Mn 0.75000 0.50000 0.00000 1.00000
Mn2 Mn 0.25000 0.50000 0.00000 1.00000
P1 P 0.39605 0.59404 0.79211 1.00000
P2 P 0.60395 0.40596 0.20789 1.00000
P3 P 0.10395 0.80193 0.20789 1.00000
P4 P 0.89605 0.19807 0.79211 1.00000
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