PmPu2MoC4
Alexandria ALEXAlex-ID: agm004781069 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_403_spg63
Pu3C2 PuMoC2 Pm2C3 Pu
2022-07-13 11:04:32.782465
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004781069).
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 agm004781069
data_agm004781069
_cell_length_a 3.55029
_cell_length_b 6.16045
_cell_length_c 12.27130
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.74735
_cell_volume 257.00662
_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 0.11257 0.22515 0.75000 1.00000
Pm2 Pm 0.88743 0.77485 0.25000 1.00000
Pu1 Pu 0.37092 0.74184 0.53823 1.00000
Pu2 Pu 0.62908 0.25816 0.03823 1.00000
Pu3 Pu 0.62908 0.25816 0.46177 1.00000
Pu4 Pu 0.37092 0.74184 0.96177 1.00000
Mo1 Mo 0.84522 0.69043 0.75000 1.00000
Mo2 Mo 0.15478 0.30957 0.25000 1.00000
C1 C 0.25760 0.51521 0.12501 1.00000
C2 C 0.74240 0.48479 0.62501 1.00000
C3 C 0.74240 0.48479 0.87499 1.00000
C4 C 0.25760 0.51521 0.37499 1.00000
C5 C 0.00000 0.00000 0.50000 1.00000
C6 C 0.00000 0.00000 0.00000 1.00000
C7 C 0.43542 0.87083 0.75000 1.00000
C8 C 0.56458 0.12917 0.25000 1.00000
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