Pm2NpCoO8
Alexandria ALEXAlex-ID: agm004906005 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_362_spg2
PmO2 Pm6NpO12 PmNpO5 Co3O4
2023-01-01 22:23:36.706282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004906005).
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 agm004906005
data_agm004906005
_cell_length_a 4.53110
_cell_length_b 5.22393
_cell_length_c 7.30746
_cell_angle_alpha 82.44012
_cell_angle_beta 93.17549
_cell_angle_gamma 96.40619
_cell_volume 170.24891
_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 0.40153 0.51928 0.73475 1.00000
Pm2 Pm 0.59847 0.48072 0.26525 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.00000 0.00000 0.50000 1.00000
O1 O 0.12325 0.70824 0.17031 1.00000
O2 O 0.63108 0.76612 0.97598 1.00000
O3 O 0.86173 0.11949 0.25936 1.00000
O4 O 0.87675 0.29176 0.82969 1.00000
O5 O 0.36892 0.23388 0.02402 1.00000
O6 O 0.13827 0.88051 0.74064 1.00000
O7 O 0.72193 0.71622 0.51024 1.00000
O8 O 0.27807 0.28378 0.48976 1.00000
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