Tm3N2O
Alexandria ALEXAlex-ID: agm005755399 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_873_spg71
Tm4N3O Tm2O3 Tm
2023-08-23 17:56:16.925746
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755399).
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 agm005755399
data_agm005755399
_cell_length_a 3.37779
_cell_length_b 4.77916
_cell_length_c 5.84908
_cell_angle_alpha 114.11311
_cell_angle_beta 106.71260
_cell_angle_gamma 90.00001
_cell_volume 81.79324
_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
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.17219 0.17208 0.34416 1.00000
Tm3 Tm 0.82781 0.82792 0.65584 1.00000
N1 N 0.16633 0.66676 0.33352 1.00000
N2 N 0.83367 0.33324 0.66648 1.00000
O1 O 0.50000 0.00000 0.00000 1.00000
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