PmMn2AsN
Alexandria ALEXAlex-ID: agm040803891 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_24_spg63
Mn2N PmAs
2024-09-05 02:41:00.693055
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040803891).
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 agm040803891
data_agm040803891
_cell_length_a 5.68065
_cell_length_b 5.68065
_cell_length_c 7.09982
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 141.41649
_cell_volume 142.88554
_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
Pm1 Pm 0.54342 0.45658 0.25000 1.00000
Pm2 Pm 0.45658 0.54342 0.75000 1.00000
Mn1 Mn 0.83508 0.16492 0.44535 1.00000
Mn2 Mn 0.16492 0.83508 0.55465 1.00000
Mn3 Mn 0.83508 0.16492 0.05465 1.00000
Mn4 Mn 0.16492 0.83508 0.94535 1.00000
As1 As 0.26773 0.73227 0.25000 1.00000
As2 As 0.73227 0.26773 0.75000 1.00000
N1 N 0.00000 0.00000 0.50000 1.00000
N2 N 0.00000 0.00000 0.00000 1.00000
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