NaPm2IrO8
Alexandria ALEXAlex-ID: agm004902017 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_384_spg10
Na2Ir2O7 Na(IrO3)2 NaO4 PmO2
2023-01-06 04:36:29.209263
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004902017).
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 agm004902017
data_agm004902017
_cell_length_a 5.20754
_cell_length_b 4.26797
_cell_length_c 7.17083
_cell_angle_alpha 75.24938
_cell_angle_beta 90.29896
_cell_angle_gamma 89.91191
_cell_volume 154.12059
_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
Na1 Na 0.00000 0.00000 0.50000 1.00000
Pm1 Pm 0.50994 0.38005 0.78457 1.00000
Pm2 Pm 0.49006 0.61995 0.21543 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
O1 O 0.01715 0.66201 0.24063 1.00000
O2 O 0.69016 0.82060 0.90667 1.00000
O3 O 0.77732 0.22216 0.12488 1.00000
O4 O 0.98285 0.33799 0.75937 1.00000
O5 O 0.30984 0.17940 0.09333 1.00000
O6 O 0.22268 0.77784 0.87512 1.00000
O7 O 0.53197 0.83190 0.49789 1.00000
O8 O 0.46803 0.16810 0.50211 1.00000
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