Sr7Nd3Sc2
Alexandria ALEXAlex-ID: agm011900504 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_13_spg10
Sr Nd Sc
2024-06-01 20:54:34.231450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011900504).
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
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# CIF generated by HEAS from Alexandria entry agm011900504
data_agm011900504
_cell_length_a 19.13748
_cell_length_b 19.13748
_cell_length_c 6.14102
_cell_angle_alpha 99.11625
_cell_angle_beta 99.11625
_cell_angle_gamma 12.82741
_cell_volume 492.94776
_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
Sr1 Sr 0.75731 0.75731 0.25754 1.00000
Sr2 Sr 0.24269 0.24269 0.74246 1.00000
Sr3 Sr 0.58812 0.58812 0.08458 1.00000
Sr4 Sr 0.00000 0.00000 0.00000 1.00000
Sr5 Sr 0.41188 0.41188 0.91542 1.00000
Sr6 Sr 0.91167 0.91167 0.41524 1.00000
Sr7 Sr 0.08833 0.08833 0.58476 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.17085 0.17085 0.16939 1.00000
Nd3 Nd 0.82915 0.82915 0.83061 1.00000
Sc1 Sc 0.66570 0.66570 0.66254 1.00000
Sc2 Sc 0.33430 0.33430 0.33746 1.00000
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