Sr3Ce6NdMn2
Alexandria ALEXAlex-ID: agm011606239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Sr Nd Ce Mn
2024-06-04 15:26:25.237049
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011606239).
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 agm011606239
data_agm011606239
_cell_length_a 6.47929
_cell_length_b 6.99653
_cell_length_c 10.68760
_cell_angle_alpha 85.75301
_cell_angle_beta 107.61471
_cell_angle_gamma 117.60089
_cell_volume 407.97053
_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 0.42093 0.02813 0.49144 1.00000
Sr2 Sr 0.69430 0.67289 0.39379 1.00000
Sr3 Sr 0.96828 0.31745 0.29732 1.00000
Ce1 Ce 0.73473 0.68173 0.02498 1.00000
Ce2 Ce 0.09847 0.19226 0.68211 1.00000
Ce3 Ce 0.65332 0.66073 0.76286 1.00000
Ce4 Ce 0.29465 0.68201 0.02497 1.00000
Ce5 Ce 0.28914 0.15024 0.10613 1.00000
Ce6 Ce 0.09348 0.66074 0.76288 1.00000
Nd1 Nd 0.69413 0.17134 0.89428 1.00000
Mn1 Mn 0.27645 0.36073 0.86956 1.00000
Mn2 Mn 0.11165 0.98209 0.91857 1.00000
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