Na2Sr4Ir
Alexandria ALEXAlex-ID: agm005990804 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_928_spg11
Sr4Ir Na
2023-10-14 00:27:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990804).
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 agm005990804
data_agm005990804
_cell_length_a 7.69968
_cell_length_b 8.94767
_cell_length_c 9.15464
_cell_angle_alpha 108.61306
_cell_angle_beta 90.00126
_cell_angle_gamma 90.00075
_cell_volume 597.71311
_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 0.24998 0.29343 0.19224 1.00000
Na2 Na 0.75002 0.70657 0.80776 1.00000
Na3 Na 0.75002 0.01778 0.67317 1.00000
Na4 Na 0.24998 0.98222 0.32683 1.00000
Sr1 Sr 0.49710 0.34293 0.58819 1.00000
Sr2 Sr 0.25001 0.62493 0.96503 1.00000
Sr3 Sr 0.74999 0.37507 0.03497 1.00000
Sr4 Sr 0.00290 0.34293 0.58819 1.00000
Sr5 Sr 0.74998 0.02944 0.22031 1.00000
Sr6 Sr 0.99710 0.65707 0.41181 1.00000
Sr7 Sr 0.50290 0.65707 0.41181 1.00000
Sr8 Sr 0.25002 0.97056 0.77969 1.00000
Ir1 Ir 0.25000 0.62155 0.64771 1.00000
Ir2 Ir 0.75000 0.37845 0.35229 1.00000
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