Pm2Mg2Bi2N
Alexandria ALEXAlex-ID: agm024773923 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_1_spg139
PmBi Mg3N2 Mg
2025-06-25 03:13:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024773923).
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 agm024773923
data_agm024773923
_cell_length_a 4.58137
_cell_length_b 4.58137
_cell_length_c 8.68473
_cell_angle_alpha 74.65947
_cell_angle_beta 105.34053
_cell_angle_gamma 90.02463
_cell_volume 169.05072
_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 0.15023 0.84977 0.79964 1.00000
Pm2 Pm 0.84977 0.15023 0.20036 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Mg2 Mg 0.50000 0.00000 0.50000 1.00000
Bi1 Bi 0.36126 0.63874 0.22345 1.00000
Bi2 Bi 0.63874 0.36126 0.77655 1.00000
N1 N 0.00000 0.00000 0.50000 1.00000
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