Pm3RuC5
Alexandria ALEXAlex-ID: agm072323925 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1241_spg6
Pm2RuC2 Pm2C3 Pm2RuC4
2024-09-23 20:27:30.440286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072323925).
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 agm072323925
data_agm072323925
_cell_length_a 3.91591
_cell_length_b 5.37599
_cell_length_c 7.26532
_cell_angle_alpha 74.55294
_cell_angle_beta 91.68666
_cell_angle_gamma 86.76254
_cell_volume 147.03156
_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 0.98984 0.97107 0.79173 1.00000
Pm2 Pm 0.27818 0.34125 0.12165 1.00000
Pm3 Pm 0.42299 0.54867 0.54609 1.00000
Ru1 Ru 0.76922 0.84538 0.20569 1.00000
C1 C 0.26212 0.80873 0.16584 1.00000
C2 C 0.97275 0.47460 0.76972 1.00000
C3 C 0.47735 0.05605 0.54940 1.00000
C4 C 0.65903 0.00535 0.41136 1.00000
C5 C 0.73150 0.43826 0.89572 1.00000
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