Na3TmIn2O6
Alexandria ALEXAlex-ID: agm004625504 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
NaTmO2 NaInO2
2022-06-28 12:27:47.997804
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004625504).
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 agm004625504
data_agm004625504
_cell_length_a 5.71876
_cell_length_b 5.71876
_cell_length_c 5.89384
_cell_angle_alpha 99.26648
_cell_angle_beta 99.26648
_cell_angle_gamma 120.02340
_cell_volume 157.99204
_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 0.17107 0.82893 0.50000 1.00000
Na2 Na 0.82893 0.17107 0.50000 1.00000
Na3 Na 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
In1 In 0.33351 0.66649 0.00000 1.00000
In2 In 0.66649 0.33351 0.00000 1.00000
O1 O 0.92884 0.59290 0.78620 1.00000
O2 O 0.73539 0.73539 0.21483 1.00000
O3 O 0.07116 0.40710 0.21380 1.00000
O4 O 0.59290 0.92884 0.78620 1.00000
O5 O 0.26461 0.26461 0.78517 1.00000
O6 O 0.40710 0.07116 0.21380 1.00000
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