Na8Sr3Ca
Alexandria ALEXAlex-ID: agm006002003 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_29_spg160
Na Sr Ca
2023-09-08 11:47:34.388666
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006002003).
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 agm006002003
data_agm006002003
_cell_length_a 7.09201
_cell_length_b 7.09201
_cell_length_c 12.10624
_cell_angle_alpha 72.96792
_cell_angle_beta 72.96792
_cell_angle_gamma 60.00001
_cell_volume 496.24782
_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 0.56370 0.06341 0.80918 1.00000
Na2 Na 0.06214 0.55960 0.31612 1.00000
Na3 Na 0.56370 0.56370 0.80918 1.00000
Na4 Na 0.06214 0.06214 0.31612 1.00000
Na5 Na 0.81211 0.81211 0.56366 1.00000
Na6 Na 0.31282 0.31282 0.06154 1.00000
Na7 Na 0.06341 0.56370 0.80918 1.00000
Na8 Na 0.55960 0.06214 0.31612 1.00000
Sr1 Sr 0.62498 0.62498 0.12506 1.00000
Sr2 Sr 0.00174 0.00174 0.99479 1.00000
Sr3 Sr 0.49833 0.49833 0.50502 1.00000
Ca1 Ca 0.12532 0.12532 0.62403 1.00000
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