Ba2SrNd2Ni2RhO10
Alexandria ALEXAlex-ID: agm010359526 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E2F10_6_spg12
Ba3NdRh2O9 Sr4RhO6 Ba3Nd2Ni2RhO10 NiO Ba9(RhO3)8 Nd2O3
2025-02-27 16:46:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010359526).
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 agm010359526
data_agm010359526
_cell_length_a 7.06220
_cell_length_b 7.06220
_cell_length_c 7.40945
_cell_angle_alpha 75.82781
_cell_angle_beta 104.17219
_cell_angle_gamma 130.68562
_cell_volume 269.86416
_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
Ba1 Ba 0.35626 0.64374 0.98633 1.00000
Ba2 Ba 0.64374 0.35626 0.01367 1.00000
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.81405 0.18595 0.62794 1.00000
Nd2 Nd 0.18595 0.81405 0.37206 1.00000
Ni1 Ni 0.90282 0.09718 0.27352 1.00000
Ni2 Ni 0.09718 0.90282 0.72648 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
O1 O 0.21083 0.25132 0.78497 1.00000
O2 O 0.78917 0.74868 0.21503 1.00000
O3 O 0.25132 0.21083 0.21503 1.00000
O4 O 0.74868 0.78917 0.78497 1.00000
O5 O 0.84096 0.15904 0.98611 1.00000
O6 O 0.15904 0.84096 0.01389 1.00000
O7 O 0.93484 0.58501 0.62801 1.00000
O8 O 0.06516 0.41499 0.37199 1.00000
O9 O 0.58501 0.93484 0.37199 1.00000
O10 O 0.41499 0.06516 0.62801 1.00000
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