Pm2Fe2BC2
Alexandria ALEXAlex-ID: agm004545147 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_152_spg12
Pm12(FeC3)5 Pm(FeB)4 Pm PmFeC
2022-06-21 23:58:30.841913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004545147).
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 agm004545147
data_agm004545147
_cell_length_a 3.52540
_cell_length_b 5.40563
_cell_length_c 5.77980
_cell_angle_alpha 69.96906
_cell_angle_beta 72.24329
_cell_angle_gamma 70.96863
_cell_volume 95.48171
_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 0.57068 0.19559 0.66305 1.00000
Pm2 Pm 0.42932 0.80441 0.33695 1.00000
Fe1 Fe 0.20675 0.67215 0.91434 1.00000
Fe2 Fe 0.79325 0.32785 0.08566 1.00000
B1 B 0.00000 0.00000 0.00000 1.00000
C1 C 0.20550 0.36732 0.22167 1.00000
C2 C 0.79450 0.63268 0.77833 1.00000
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