NaTm3Mn3CrO12
Alexandria ALEXAlex-ID: agm010503501 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D3E12_21_spg1
TmMnO3 Tm2Mn2O7 Na3MnCr3O8 TmCrO3 Na2CrO4
2024-04-23 00:43:36.437415
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010503501).
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 agm010503501
data_agm010503501
_cell_length_a 5.24543
_cell_length_b 5.52520
_cell_length_c 7.52625
_cell_angle_alpha 89.78637
_cell_angle_beta 90.07430
_cell_angle_gamma 89.67110
_cell_volume 218.12089
_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 0.49305 0.45154 0.25208 1.00000
Tm1 Tm 0.02222 0.92963 0.24973 1.00000
Tm2 Tm 0.51796 0.57096 0.75016 1.00000
Tm3 Tm 0.98049 0.06822 0.74993 1.00000
Mn1 Mn 0.49780 0.00678 0.49630 1.00000
Mn2 Mn 0.00457 0.49780 0.49584 1.00000
Mn3 Mn 0.49757 0.00497 0.00310 1.00000
Cr1 Cr 0.00400 0.49715 0.00437 1.00000
O1 O 0.61045 0.03241 0.24795 1.00000
O2 O 0.91169 0.54347 0.25503 1.00000
O3 O 0.39428 0.96625 0.75074 1.00000
O4 O 0.11191 0.46260 0.74614 1.00000
O5 O 0.79635 0.80089 0.94143 1.00000
O6 O 0.70049 0.29583 0.56503 1.00000
O7 O 0.17752 0.18170 0.45703 1.00000
O8 O 0.30609 0.71022 0.04719 1.00000
O9 O 0.18056 0.17739 0.04072 1.00000
O10 O 0.29856 0.71133 0.45468 1.00000
O11 O 0.79654 0.79980 0.55875 1.00000
O12 O 0.69789 0.29106 0.93380 1.00000
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